CHEBI:176194 - Withaperuvin F

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ChEBI Name Withaperuvin F
ChEBI ID CHEBI:176194
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H38O8
Net Charge 0
Average Mass 502.604
Monoisotopic Mass 502.25667
InChI InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3
InChIKey YZKXYOSYQKJNOD-UHFFFAOYSA-N
SMILES O1C2C3(O)C(C4C(C2)C=5C(C(O)(CC5)C(O)(C6OC(=O)C(=C(C6)C)C)C)(CC4)C)(C(=O)CC1C3O)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via withanolide )
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ChEBI Ontology
Outgoing Withaperuvin F (CHEBI:176194) is a withanolide (CHEBI:74716)
IUPAC Name
7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-7,16,17-trihydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.03,11.04,8.012,17]octadec-4-en-13-one
Manual Xref Database
HMDB0034400 HMDB
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