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CHEBI:227478 - Acremeremophilane C

ChEBI IDCHEBI:227478
ChEBI NameAcremeremophilane C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESC/C=C/CCC(=O)O[C@H]1C=CC2=CC(=O)/C(=C(\C)C(=O)O)C[C@]2(C)[C@H]1C
InChIInChI=1S/C21H26O5/c1-5-6-7-8-19(23)26-18-10-9-15-11-17(22)16(13(2)20(24)25)12-21(15,4)14(18)3/h5-6,9-11,14,18H,7-8,12H2,1-4H3,(H,24,25)/b6-5+,16-13+/t14-,18-,21+/m0/s1
InChIKeyRYRWDTCJZOGBTD-CQQVTTSESA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane C (CHEBI:227478) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E)-2-[(7S,8R,8aR)-7-[(E)-hex-4-enoyl]oxy-8,8a-dimethyl-3-oxo-7,8-dihydro-1H-naphthalen-2-ylidene]propanoic acid
Manual XrefsDatabases
58196719ChemSpider