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CHEBI:208821 - Gerronemin E

ChEBI IDCHEBI:208821
ChEBI NameGerronemin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O4
Net Charge0
Average Mass410.554
Monoisotopic Mass410.24571
SMILESOc1cccc(CC/C=C\C/C=C\CCCCCCCc2cccc(O)c2O)c1O
InChIInChI=1S/C26H34O4/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/h1,3,7,9,13-14,17-20,27-30H,2,4-6,8,10-12,15-16H2/b3-1-,9-7-
InChIKeyGRNMSFHYESOOJH-QGXVWARISA-N
Species of MetaboliteComponentSourceComments
Gerronemaspecies (ncbitaxon:2170365) - PubMed (11867096)
ChEBI Ontology
Outgoing Relation(s)
Gerronemin E (CHEBI:208821) is a catechols (CHEBI:33566)
IUPAC Name 
3-[(8Z,11Z)-14-(2,3-dihydroxyphenyl)tetradeca-8,11-dienyl]benzene-1,2-diol
Manual XrefsDatabases
4476422ChemSpider