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Concept information

organooxygen compound > ester > carboxylic ester > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
organooxygen compound > carbonyl compound > carboxylic ester > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclic terpene ketone > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > alicyclic ketone > cyclic terpene ketone > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > terpene ketone > cyclic terpene ketone > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside

Preferred term

1-oxo-3beta,23-dihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopyranoside  

Type

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

charge

  • 0

formula

  • C36H56O10

has_parent_hydride

inchi

  • InChI=1S/C36H56O10/c1-31(2)11-13-36(30(44)46-29-28(43)27(42)26(41)21(17-37)45-29)14-12-33(4)19(20(36)16-31)7-8-23-34(33,5)10-9-22-32(3,18-38)24(39)15-25(40)35(22,23)6/h7,20-24,26-29,37-39,41-43H,8-18H2,1-6H3/t20-,21+,22-,23-,24-,26+,27-,28+,29-,32-,33+,34+,35-,36-/m0/s1

inchikey

  • WDPGVNDSNNDCOT-CRIWHUKNSA-N

mass

  • 648.82380

monoisotopicmass

  • 648.38735

smiles

  • CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 1-O-[3beta,23-dihydroxy-1,28-dioxoolean-12-en-28-yl]-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67941

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