CHEBI:185683 - Delphinidin 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 Delphinidin 3-(6''-malonylglucoside)
ChEBI ID CHEBI:185683
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/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16?,20-,21?,22?,24-/m1/s1
InChIKey FNFHDAUGLIPVPU-AEQHLJTPSA-O
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=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 Delphinidin 3-(6''-malonylglucoside) (CHEBI:185683) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name
3-[[(3S,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual Xrefs Databases
24842339 ChemSpider
LMPK12010292 LIPID MAPS
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