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CHEBI:186117 - 2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene

ChEBI IDCHEBI:186117
ChEBI Name2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O4
Net Charge0
Average Mass440.624
Monoisotopic Mass440.29266
SMILESCC(=O)Oc1c(O)ccc(O)c1C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C28H40O4/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-26(30)18-19-27(31)28(25)32-24(6)29/h10,12,14,16,18-19,30-31H,7-9,11,13,15,17H2,1-6H3/b21-12+,22-14+,23-16-
InChIKeyVLLSMOKWYCNDEY-DCVNSYBLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
2-Acetoxy-3-geranylgeranyl-1,4-dihydroxybenzene (CHEBI:186117) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[3,6-dihydroxy-2-[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl] acetate
Manual XrefsDatabases
30777506ChemSpider
HMDB0040748HMDB