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CHEBI:210814 - Fiscpropionate B

ChEBI IDCHEBI:210814
ChEBI NameFiscpropionate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O5
Net Charge0
Average Mass406.563
Monoisotopic Mass406.27192
SMILESCC[C@H](C)C[C@H](C)C[C@@H]1CO[C@@H](/C(C)=C\C(=C\C=C\CC(=O)O)C(=O)O)[C@H](C)C1
InChIInChI=1S/C24H38O5/c1-6-16(2)11-17(3)12-20-13-18(4)23(29-15-20)19(5)14-21(24(27)28)9-7-8-10-22(25)26/h7-9,14,16-18,20,23H,6,10-13,15H2,1-5H3,(H,25,26)(H,27,28)/b8-7+,19-14-,21-9-/t16-,17-,18+,20-,23+/m0/s1
InChIKeyDGSITCBUNUVDBA-QCCVYROPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31799843)
ChEBI Ontology
Outgoing Relation(s)
Fiscpropionate B (CHEBI:210814) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z,4E)-2-[(Z)-2-[(2R,3R,5S)-5-[(2S,4S)-2,4-dimethylhexyl]-3-methyloxan-2-yl]prop-1-enyl]hepta-2,4-dienedioic acid
Manual XrefsDatabases
81360803ChemSpider