CHEBI:218180 - Gypseatriol

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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 Gypseatriol
ChEBI ID CHEBI:218180
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-10-5-7-12(8-6-10)11(2)9-13(16)14(17)15(3,4)18/h5-8,11,13-14,16-18H,9H2,1-4H3/t11-,13-,14+/m0/s1
InChIKey CZIDXXBIQWCKQN-FPMFFAJLSA-N
SMILES OC([C@H](O)[C@@H](O)C[C@@H](C1=CC=C(C)C=C1)C)(C)C
Metabolite of Species Details
Neoantrodiella gypsea (NCBI:txid1765008) See: PubMed
ChEBI Ontology
Outgoing Gypseatriol (CHEBI:218180) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(3R,4S,6S)-2-methyl-6-(4-methylphenyl)heptane-2,3,4-triol
Manual Xref Database
78441792 ChemSpider
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