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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > delta-lactone > withanone 27-o-beta-d-glucoside
organooxygen compound > ester > lactone > delta-lactone > withanone 27-o-beta-d-glucoside
organooxygen compound > oxacycle > lactone > delta-lactone > withanone 27-o-beta-d-glucoside
... > organooxygen compound > ether > cyclic ether > epoxide > epoxy steroid > withanone 27-o-beta-d-glucoside
... > organooxygen compound > oxacycle > cyclic ether > epoxide > epoxy steroid > withanone 27-o-beta-d-glucoside

Preferred term

withanone 27-o-beta-d-glucoside  

Type

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

charge

  • 0

formula

  • C34H48O12

inchi

  • InChI=1S/C34H48O12/c1-15-12-20(44-29(40)17(15)14-43-30-26(39)25(38)24(37)21(13-35)45-30)16(2)33(41)11-8-18-23-19(7-10-31(18,33)3)32(4)22(36)6-5-9-34(32,42)28-27(23)46-28/h5-6,16,18-21,23-28,30,35,37-39,41-42H,7-14H2,1-4H3/t16-,18+,19+,20-,21-,23+,24-,25+,26-,27+,28+,30-,31+,32+,33+,34+/m1/s1

inchikey

  • GHMBTUCPPDHSEB-ALXGINQXSA-N

mass

  • 648.746

monoisotopicmass

  • 648.31458

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@H]6[C@@H]([C@]7(CC=CC(=O)[C@@]7([C@]5(CC[C@@]43C)[H])C)O)O6)[H])[H])C)(CC2C)[H])=O)CO

subset

  • 2_STAR

synonym EXACT

  • withanone 27-O-beta-D-glucoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193034

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