CHEBI:176056 - Celereoside

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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 Celereoside
ChEBI ID CHEBI:176056
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H24O10
Net Charge 0
Average Mass 424.402
Monoisotopic Mass 424.13695
InChI InChI=1S/C20H24O10/c1-20(2,30-19-18(26)17(25)16(24)12(7-21)29-19)13-5-9-11(27-13)6-10-8(15(9)23)3-4-14(22)28-10/h3-4,6,12-13,16-19,21,23-26H,5,7H2,1-2H3
InChIKey JMWIRXQFQXREAB-UHFFFAOYSA-N
SMILES O(C(C1OC2=C(C1)C(O)=C3C(OC(=O)C=C3)=C2)(C)C)C4OC(C(O)C(O)C4O)CO
ChEBI Ontology
Outgoing Celereoside (CHEBI:176056) is a psoralens (CHEBI:26369)
IUPAC Name
4-hydroxy-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrouro[3,2-g]chromen-7-one
Manual Xref Database
HMDB0039028 HMDB
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