CHEBI:172744 - Apiumoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Apiumoside
ChEBI ID CHEBI:172744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H30O12
Net Charge 0
Average Mass 570.547
Monoisotopic Mass 570.17373
InChI InChI=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+
InChIKey PUPQENMYBCRTJC-WEVVVXLNSA-N
SMILES O(C(C1OC2=C(C1)C=C3C(OC(=O)C=C3)=C2O)(C)C)C4OC(C(O)C(O)C4O)COC(=O)/C=C/C5=CC=C(O)C=C5
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039040 HMDB
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