CHEBI:175921 - Corchoroside B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Corchoroside B
ChEBI ID CHEBI:175921
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C29H42O8
Net Charge 0
Average Mass 518.647
Monoisotopic Mass 518.28797
InChI InChI=1S/C29H42O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h4,12,15,18-21,23-26,31-34H,5-11,13-14H2,1-3H3/t15-,18-,19+,20-,21+,23-,24+,25+,26-,27-,28+,29-/m0/s1
InChIKey VEESGYSTEQKVJL-WINCYRAGSA-N
SMILES O[C@@]12[C@@]([C@H](CC1)C=3COC(=O)C3)(CC[C@]4([C@]2(CC=C5[C@@]4(CC[C@H](O[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C)C5)C)[H])[H])C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
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ChEBI Ontology
Outgoing Corchoroside B (CHEBI:175921) is a steroid saponin (CHEBI:61655)
IUPAC Name
3-[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual Xref Database
20055844 ChemSpider
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