CHEBI:185572 - 6-Hydroxycyanidin 3-(6-malonylglucoside)

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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 6-Hydroxycyanidin 3-(6-malonylglucoside)
ChEBI ID CHEBI:185572
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H23O15
Net Charge +1
Average Mass 551.432
Monoisotopic Mass 551.10315
InChI InChI=1S/C24H22O15/c25-10-2-1-8(3-11(10)26)23-14(4-9-13(37-23)5-12(27)19(32)18(9)31)38-24-22(35)21(34)20(33)15(39-24)7-36-17(30)6-16(28)29/h1-5,15,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,31,32)/p+1/t15?,20-,21+,22?,24-/m1/s1
InChIKey WFOUPMJWHMPTML-JWPBIFFTSA-O
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C([O+]=C3C(=C2)C(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C=C4)COC(=O)CC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-Hydroxycyanidin 3-(6-malonylglucoside) (CHEBI:185572) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name
3-[[(3S,4S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual Xrefs Databases
24842471 ChemSpider
LMPK12010427 LIPID MAPS
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