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CHEBI:172584 - 1-Formylneogrifolin

ChEBI IDCHEBI:172584
ChEBI Name1-Formylneogrifolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H32O3
Net Charge0
Average Mass356.506
Monoisotopic Mass356.23514
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)c(C=O)cc(O)c1O
InChIInChI=1S/C23H32O3/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-21-19(5)20(15-24)14-22(25)23(21)26/h8,10,12,14-15,25-26H,6-7,9,11,13H2,1-5H3/b17-10+,18-12+
InChIKeyZLQKZPMAXCSTJG-VZRGJMDUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Albatrellus ovinus (ncbitaxon:139090) - PubMed (11909630)
ChEBI Ontology
Outgoing Relation(s)
1-Formylneogrifolin (CHEBI:172584) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
4,5-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
4,6-dihydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde
Manual XrefsDatabases
HMDB0039880HMDB
30777383ChemSpider
4476252ChemSpider