CHEBI:175794 - 14alpha-Hydroxyixocarpanolide

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ChEBI Name 14alpha-Hydroxyixocarpanolide
ChEBI ID CHEBI:175794
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O7
Net Charge 0
Average Mass 488.621
Monoisotopic Mass 488.27740
InChI InChI=1S/C28H40O7/c1-14-13-19(34-23(30)15(14)2)26(5,31)17-9-12-27(32)20-16(8-11-24(17,27)3)25(4)18(29)7-6-10-28(25,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3
InChIKey SPZVPSAUINZULS-UHFFFAOYSA-N
SMILES O1C2C3C4(O)C(C(CC4)C(O)(C5OC(=O)C(C(C5)C)C)C)(CCC3C6(C(O)(C12)CC=CC6=O)C)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 14alpha-Hydroxyixocarpanolide (CHEBI:175794) is a withanolide (CHEBI:74716)
IUPAC Name
15-[1-(4,5-dimethyl-6-oxooxan-2-yl)-1-hydroxyethyl]-5,18-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Manual Xref Database
HMDB0034334 HMDB
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