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CHEBI:187680 - Sagecoumarin

ChEBI IDCHEBI:187680
ChEBI NameSagecoumarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H20O12
Net Charge0
Average Mass536.445
Monoisotopic Mass536.09548
SMILESO=C(/C=C/c1ccc(Oc2cc3cc(O)c(O)cc3oc2=O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O
InChIInChI=1S/C27H20O12/c28-16-4-1-14(8-17(16)29)9-23(26(34)35)38-25(33)6-3-13-2-5-21(20(32)7-13)37-24-11-15-10-18(30)19(31)12-22(15)39-27(24)36/h1-8,10-12,23,28-32H,9H2,(H,34,35)/b6-3+
InChIKeyFGLLLJUSIHHQKZ-ZZXKWVIFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Sagecoumarin (CHEBI:187680) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
2-[(E)-3-[4-(6,7-dihydroxy-2-oxochromen-3-yl)oxy-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0034035HMDB
35013690ChemSpider