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CHEBI:216717 - Gerronemin D

ChEBI IDCHEBI:216717
ChEBI NameGerronemin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O4
Net Charge0
Average Mass412.570
Monoisotopic Mass412.26136
SMILESOc1cccc(CCCCC/C=C\CCCCCCCc2cccc(O)c2O)c1O
InChIInChI=1S/C26H36O4/c27-23-19-13-17-21(25(23)29)15-11-9-7-5-3-1-2-4-6-8-10-12-16-22-18-14-20-24(28)26(22)30/h1,3,13-14,17-20,27-30H,2,4-12,15-16H2/b3-1-
InChIKeyNAKZWEKDEOZWPV-IWQZZHSRSA-N
Species of MetaboliteComponentSourceComments
Gerronemaspecies (ncbitaxon:2170365) - PubMed (11867096)
ChEBI Ontology
Outgoing Relation(s)
Gerronemin D (CHEBI:216717) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(Z)-14-(2,3-dihydroxyphenyl)tetradec-8-enyl]benzene-1,2-diol
Manual XrefsDatabases
558838ChemSpider