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Concept information

organooxygen compound > ester > carboxylic ester > 2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside
organooxygen compound > carbonyl compound > carboxylic ester > 2alpha,3beta,23alpha-trihydroxyurs-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 > 2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > 2alpha,3beta,23alpha-trihydroxyurs-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 > 2alpha,3beta,23alpha-trihydroxyurs-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 > 2alpha,3beta,23alpha-trihydroxyurs-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 > 2alpha,3beta,23alpha-trihydroxyurs-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 > 2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > triterpenoid saponin > 2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside

Preferred term

2alpha,3beta,23alpha-trihydroxyurs-12-en-28-oic acid 28-o-beta-d-glucopyranoside  

Type

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

charge

  • 0

formula

  • C36H58O10

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C36H58O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18-19,21-30,37-43H,8-17H2,1-6H3/t18-,19+,21-,22-,23-,24-,25+,26-,27+,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1

inchikey

  • OEGYWKLSOORPGU-SXLQXSQGSA-N

mass

  • 650.83970

monoisotopicmass

  • 650.40300

smiles

  • C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)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-[2alpha,3beta,23-trihydroxy-28-oxours-12-en-28-yl]-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67952

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