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Chemistry, part 2

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > ester > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > oxacycle > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > gamma-lactone > butenolide > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > oxacycle > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > butenolide > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > ester > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > oxacycle > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid lactone > cardenolides > cardenolide glycoside > digitalin
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > cardiac glycoside > cardenolide glycoside > digitalin
... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > organooxygen compound > ester > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > organooxygen compound > oxacycle > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid lactone > cardiac glycoside > cardenolide glycoside > digitalin

Preferred term

digitalin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:23725
  • CHEBI:4546

charge

  • 0

formula

  • C36H56O14

has_functional_parent

inchi

  • InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18-,19+,20+,21-,22+,23-,25+,26-,27+,28-,29-,30+,31-,32+,33+,34+,35-,36+/m1/s1

inchikey

  • CKNOLMVLQUPVMU-YMMLYESFSA-N

mass

  • 712.82144

monoisotopicmass

  • 712.36701

smiles

  • [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide
  • Digitalin

synonym RELATED

  • Gitoxigenin 3-O-glucosyldigitaloside
  • Glucostrospeside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28143

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