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CHEBI:172744 - Apiumoside

ChEBI IDCHEBI:172744
ChEBI NameApiumoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30O12
Net Charge0
Average Mass570.547
Monoisotopic Mass570.17373
SMILESCC(C)(OC1OC(COC(=O)/C=C/c2ccc(O)cc2)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3c(O)c2O1
InChIInChI=1S/C29H30O12/c1-29(2,19-12-16-11-15-6-10-21(32)40-26(15)25(36)27(16)39-19)41-28-24(35)23(34)22(33)18(38-28)13-37-20(31)9-5-14-3-7-17(30)8-4-14/h3-11,18-19,22-24,28,30,33-36H,12-13H2,1-2H3/b9-5+
InChIKeyPUPQENMYBCRTJC-WEVVVXLNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Apiumoside (CHEBI:172744) is a psoralens (CHEBI:26369)
IUPAC Name 
[3,4,5-trihydroxy-6-[2-(9-hydroxy-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl)propan-2-yloxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0039040HMDB