CHEBI:219840 - Arcuflavin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Arcuflavin B
ChEBI ID CHEBI:219840
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H50O4
Net Charge 0
Average Mass 582.825
Monoisotopic Mass 582.37091
InChI InChI=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+
InChIKey FZWFLWKOEPUBST-TVZSLTSFSA-N
SMILES O=C(OC1=C(C(O)=CC(=C1)CCCCCCC)CCCCCC)/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC(OC)=CC=C2
Metabolite of Species Details
Variovorax paradoxus B4 (NCBI:txid1246301) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78435554 ChemSpider
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