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CHEBI:184895 - Delphinidin 3-lathyroside

Default Structure
ChEBI IDCHEBI:184895
ChEBI NameDelphinidin 3-lathyroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29O16
Net Charge+1
Average Mass597.502
Monoisotopic Mass597.14501
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20+,21+,22-,24-,25+,26-/m1/s1
InChIKeyTWYYVOVDSNRIJM-KXPZGTFCSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-lathyroside (CHEBI:184895) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,4S,5R)-2-[(2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
24842308ChemSpider
LMPK12010261LIPID MAPS