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CHEBI:219840 - Arcuflavin B

ChEBI IDCHEBI:219840
ChEBI NameArcuflavin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O4
Net Charge0
Average Mass582.825
Monoisotopic Mass582.37091
SMILESCCCCCCCc1cc(O)c(CCCCCC)c(OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c2cccc(OC)c2)c1
InChIInChI=1S/C39H50O4/c1-4-6-8-16-20-25-34-31-37(40)36(28-21-9-7-5-2)38(32-34)43-39(41)29-22-18-15-13-11-10-12-14-17-19-24-33-26-23-27-35(30-33)42-3/h10-15,17-19,22-24,26-27,29-32,40H,4-9,16,20-21,25,28H2,1-3H3/b12-10+,13-11+,17-14+,18-15+,24-19+,29-22+
InChIKeyFZWFLWKOEPUBST-TVZSLTSFSA-N
Species of MetaboliteComponentSourceComments
Variovorax paradoxus B4 (ncbitaxon:1246301) - PubMed (26629877)
ChEBI Ontology
Outgoing Relation(s)
Arcuflavin B (CHEBI:219840) is a benzoate ester (CHEBI:36054)
Arcuflavin B (CHEBI:219840) is a phenols (CHEBI:33853)
IUPAC Name 
(5-heptyl-2-hexyl-3-hydroxyphenyl) (2E,4E,6E,8E,10E,12E)-13-(3-methoxyphenyl)trideca-2,4,6,8,10,12-hexaenoate
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78435554ChemSpider