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CHEBI:215458 - Phomadecalin C

ChEBI IDCHEBI:215458
ChEBI NamePhomadecalin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@H]2O)C=CC(=O)[C@@H]1C
InChIInChI=1S/C15H18O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h4-6,9,12-13,16,18H,1,7H2,2-3H3/t9-,12+,13+,14+,15-/m0/s1
InChIKeyXUTGMBDRFZBAHV-BGJHODNPSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NRRL 25697 (ncbitaxon:696192) - PubMed (11908990)
ChEBI Ontology
Outgoing Relation(s)
Phomadecalin C (CHEBI:215458) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,2R,7R,7aR,7bR)-2-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-7,7b-dihydro-2H-naphtho[1,2-b]oxiren-6-one
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553015ChemSpider