CHEBI:216625 - Virescenoside S

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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 Virescenoside S
ChEBI ID CHEBI:216625
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C26H40O8
Net Charge 0
Average Mass 480.598
Monoisotopic Mass 480.27232
InChI InChI=1S/C26H40O8/c1-5-24(2)8-6-15-14(11-24)16(28)10-18-25(15,3)9-7-19(29)26(18,4)13-33-23-22(32)21(31)20(30)17(12-27)34-23/h5,11,15-18,20-23,27-28,30-32H,1,6-10,12-13H2,2-4H3/t15-,16+,17+,18+,20+,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey YGCDMFKITFIOIB-GHSLUPDCSA-N
SMILES O=C1[C@@]([C@H]2[C@]([C@@H]3C(=C[C@](C=C)(C)CC3)[C@@H](C2)O)(C)CC1)(CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@@H]4O)O)CO)C
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: PubMed
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 Virescenoside S (CHEBI:216625) is a steroid saponin (CHEBI:61655)
IUPAC Name
(1S,4aR,4bR,7R,9R,10aR)-7-ethenyl-9-hydroxy-1,4a,7-trimethyl-1-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4b,5,6,9,10,10a-octahydrophenanthren-2-one
Manual Xref Database
10192726 ChemSpider
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