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CHEBI:203042 - Phomadecalin A

ChEBI IDCHEBI:203042
ChEBI NamePhomadecalin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C(CO)[C@@]12O[C@@H]1[C@@]1(C)C(=C[C@H]2O)C=CC[C@@H]1C
InChIInChI=1S/C15H20O3/c1-9-5-4-6-11-7-12(17)15(10(2)8-16)13(18-15)14(9,11)3/h4,6-7,9,12-13,16-17H,2,5,8H2,1,3H3/t9-,12+,13+,14+,15-/m0/s1
InChIKeyQINRUZADLMGSLB-BGJHODNPSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies NRRL 25697 (ncbitaxon:696192) - PubMed (11908990)
ChEBI Ontology
Outgoing Relation(s)
Phomadecalin A (CHEBI:203042) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,2R,7S,7aR,7bR)-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-2,6,7,7b-tetrahydronaphtho[1,2-b]oxiren-2-ol
Manual XrefsDatabases
8258888ChemSpider