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Concept information

organooxygen compound > ester > carboxylic ester > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
organooxygen compound > carbonyl compound > carboxylic ester > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > hexoside > glucoside > d-glucoside > beta-d-glucoside > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > pentacyclic triterpenoid > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > saponin > triterpenoid saponin > 2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside

Preferred term

2alpha,3beta,23-trihydroxyolean-12-en-28-oic acid 28-o-beta-d-glucopynoside  

Type

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

charge

  • 0

formula

  • C36H58O10

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(42)26(41)25(40)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-24-32(3)16-21(39)28(43)33(4,18-38)23(32)9-10-35(24,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24+,25+,26-,27+,28-,29-,32-,33-,34+,35+,36-/m0/s1

inchikey

  • CJHYKSSBQRABTM-XJWBRSAFSA-N

mass

  • 650.83970

monoisotopicmass

  • 650.40300

smiles

  • CC1(C)CC[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]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-[2alpha,3beta,23-trihydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:67948

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