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CHEBI:227429 - Acremeremophilane I

ChEBI IDCHEBI:227429
ChEBI NameAcremeremophilane I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC=C(CO)[C@@H]1C[C@@]2(C)C(=CC(=O)C[C@@H]2C)C[C@H]1O
InChIInChI=1S/C15H22O3/c1-9(8-16)13-7-15(3)10(2)4-12(17)5-11(15)6-14(13)18/h5,10,13-14,16,18H,1,4,6-8H2,2-3H3/t10-,13-,14+,15+/m0/s1
InChIKeyOKRYKYJCBYINPF-BSLXNSKLSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane I (CHEBI:227429) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(4S,4aR,6S,7R)-7-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-4,4a-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
Manual XrefsDatabases
58196725ChemSpider