CHEBI:209529 - Phomophyllin C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Phomophyllin C
ChEBI ID CHEBI:209529
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20O2
Net Charge 0
Average Mass 232.323
Monoisotopic Mass 232.14633
InChI InChI=1S/C15H20O2/c1-9-11-4-5-15(11,3)12-7-14(2,8-16)6-10(12)13(9)17/h6,12,16H,4-5,7-8H2,1-3H3/t12-,14-,15-/m0/s1
InChIKey OSGWBVRRDMORNR-QEJZJMRPSA-N
SMILES O=C1C(=C2[C@@](CC2)(C)[C@@H]3C1=C[C@@](CO)(C)C3)C
Metabolite of Species Details
Phomopsis (NCBI:txid34399) See: PubMed
ChEBI Ontology
Outgoing Phomophyllin C (CHEBI:209529) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(6R,7aR,7bR)-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,7,7a-tetrahydrocyclobuta[e]inden-4-one
Manual Xref Database
78439076 ChemSpider
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