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CHEBI:227483 - Acremeremophilane D

ChEBI IDCHEBI:227483
ChEBI NameAcremeremophilane D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESC/C=C/CCC(=O)O[C@H]1C=CC2=CC(=O)[C@H](/C(C=O)=C\OC)C[C@]2(C)[C@H]1C
InChIInChI=1S/C22H28O5/c1-5-6-7-8-21(25)27-20-10-9-17-11-19(24)18(16(13-23)14-26-4)12-22(17,3)15(20)2/h5-6,9-11,13-15,18,20H,7-8,12H2,1-4H3/b6-5+,16-14-/t15-,18-,20-,22+/m0/s1
InChIKeyWQQJVNUUYPMYIA-HNYOEMKWSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane D (CHEBI:227483) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2S,7S,8aR)-7-[(E)-1-methoxy-3-oxoprop-1-en-2-yl]-1,8a-dimethyl-6-oxo-1,2,7,8-tetrahydronaphthalen-2-yl] (E)-hex-4-enoate
Manual XrefsDatabases
58196720ChemSpider