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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > steroid lactone > 5beta-hydroxybufotalin
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > 5beta-hydroxybufotalin
... > 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 > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > steroid lactone > 5beta-hydroxybufotalin
organooxygen compound > ester > lactone > steroid lactone > 5beta-hydroxybufotalin
organooxygen compound > oxacycle > lactone > steroid lactone > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > 5beta-hydroxybufotalin
... > 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 > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > steroid lactone > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid lactone > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > 5beta-hydroxybufotalin
... > 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 > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid lactone > 5beta-hydroxybufotalin
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid lactone > 5beta-hydroxybufotalin

Preferred term

5beta-hydroxybufotalin  

Type

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

Broader concept

charge

  • 0

formula

  • C26H36O7

has_functional_parent

inchi

  • InChI=1S/C26H36O7/c1-15(27)33-20-13-26(31)19-8-11-25(30)12-17(28)6-9-23(25,2)18(19)7-10-24(26,3)22(20)16-4-5-21(29)32-14-16/h4-5,14,17-20,22,28,30-31H,6-13H2,1-3H3/t17-,18-,19+,20-,22-,23+,24+,25-,26-/m0/s1

inchikey

  • XXFFZCKSFHQEMN-JPDWBOAPSA-N

mass

  • 460.567

monoisotopicmass

  • 460.24610

smiles

  • O[C@@]12[C@H]3[C@@H]([C@@]4([C@](O)(CC3)C[C@@H](O)CC4)C)CC[C@@]1([C@H]([C@@H](OC(=O)C)C2)C=5C=CC(OC5)=O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,5S,8R,9S,10R,13R,14S,16S,17R)-3,5,14-trihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:229791

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