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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid saponin > ascosteroside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > ascosteroside
... > 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 saponin > ascosteroside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > steroid saponin > ascosteroside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > steroid saponin > ascosteroside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > steroid saponin > ascosteroside

Preferred term

ascosteroside  

Type

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

Broader concept

charge

  • 0

formula

  • C37H58O9

inchi

  • InChI=1S/C37H58O9/c1-19(2)20(3)9-10-21(4)26-17-29(39)37(34(42)43)25-12-11-23-22(5)27(14-15-35(23,6)24(25)13-16-36(26,37)7)45-33-31(41)30(40)32(44-8)28(18-38)46-33/h19,21,23,26-33,38-41H,3,5,9-18H2,1-2,4,6-8H3,(H,42,43)/t21-,23-,26+,27-,28+,29+,30+,31+,32+,33-,35-,36+,37+/m0/s1

inchikey

  • VWTJLWBUAZAHKW-GAWNAFKJSA-N

mass

  • 646.862

monoisotopicmass

  • 646.40808

smiles

  • O=C(O)[C@]12C3=C([C@@]4([C@H](C(=C)[C@@H](O[C@H]5O[C@@H]([C@@H](OC)[C@@H]([C@H]5O)O)CO)CC4)CC3)C)CC[C@@]1([C@@H]([C@H](CCC(=C)C(C)C)C)C[C@H]2O)C

subset

  • 2_STAR

synonym EXACT

  • (3S,5R,10S,13R,14S,15R,17R)-3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-15-hydroxy-10,13-dimethyl-4-methylidene-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197726

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