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CHEBI:167549 - soppiline B

ChEBI IDCHEBI:167549
ChEBI Namesoppiline B
Stars
DefinitionA member of the class of resorcinols that is 5-heptadecylbenzene-1,3-diol which carries cis double bonds at positions 2 and 6, trans double bonds at positions 4 and 15, and a methyl group at position 15.
Last Modified25 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H34O2
Net Charge0
Average Mass354.534
Monoisotopic Mass354.25588
SMILESC/C=C(\C)CCCCCCC/C=C\C=C\C=C/Cc1cc(O)cc(O)c1
InChIInChI=1S/C24H34O2/c1-3-21(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-22-18-23(25)20-24(26)19-22/h3,5,7,9,11,13,15,18-20,25-26H,4,6,8,10,12,14,16-17H2,1-2H3/b7-5-,11-9+,15-13-,21-3+
InChIKeyIBTUEOUYYLIJLK-LOFTVMHWSA-N
Species of MetaboliteComponentSourceComments
Penicillium soppi (ncbitaxon:69789) - PubMed (31086874)
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
soppiline B (CHEBI:167549) has role Penicillium metabolite (CHEBI:76964)
soppiline B (CHEBI:167549) is a olefinic compound (CHEBI:78840)
soppiline B (CHEBI:167549) is a polyketide (CHEBI:26188)
soppiline B (CHEBI:167549) is a resorcinols (CHEBI:33572)
IUPAC Name 
5-[(2Z,4E,6Z,15E)-15-methylheptadeca-2,4,6,15-tetraen-1-yl]benzene-1,3-diol
UniProt Name  Source
soppiline BUniProt
Citations