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CHEBI:227473 - Acremeremophilane B

ChEBI IDCHEBI:227473
ChEBI NameAcremeremophilane B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESC=C(C(=O)O)[C@@H]1C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)CC/C=C/C)[C@@H]2C
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/h5-6,9-11,14,16,18H,2,7-8,12H2,1,3-4H3,(H,24,25)/b6-5+/t14-,16-,18-,21+/m0/s1
InChIKeyXTLWKIPRGWJGEX-QCPSKTABSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (26928174)
ChEBI Ontology
Outgoing Relation(s)
Acremeremophilane B (CHEBI:227473) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2S,7S,8R,8aR)-7-[(E)-hex-4-enoyl]oxy-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid
Manual XrefsDatabases
58196718ChemSpider