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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > delta-lactone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
organooxygen compound > ester > lactone > delta-lactone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside
organooxygen compound > oxacycle > lactone > delta-lactone > 5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside

Preferred term

5alpha,6beta,17alpha-trihydroxywithanolide 27-o-beta-d-glucoside  

Type

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

charge

  • 0

formula

  • C34H50O12

inchi

  • InChI=1S/C34H50O12/c1-16-12-22(45-29(41)19(16)15-44-30-28(40)27(39)26(38)23(14-35)46-30)17(2)33(42)11-8-20-18-13-25(37)34(43)9-5-6-24(36)32(34,4)21(18)7-10-31(20,33)3/h5-6,17-18,20-23,25-28,30,35,37-40,42-43H,7-15H2,1-4H3/t17-,18+,20+,21+,22-,23-,25-,26-,27+,28-,30-,31+,32+,33+,34+/m1/s1

inchikey

  • GEXURBSESGZMHD-WBFXMXERSA-N

mass

  • 650.762

monoisotopicmass

  • 650.33023

smiles

  • O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)OCC=2C(O[C@@]([C@H]([C@@]3(O)CC[C@]4([C@@]5(C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@]5(CC[C@@]43C)[H])C)O)O)[H])[H])C)(CC2C)[H])=O)CO

subset

  • 2_STAR

synonym EXACT

  • 5alpha,6beta,17alpha-trihydroxywithanolide 27-O-beta-D-glucoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193036

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