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CHEBI:187655 - Pelargonidin 3-lathyroside

Default Structure
ChEBI IDCHEBI:187655
ChEBI NamePelargonidin 3-lathyroside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29O14
Net Charge+1
Average Mass565.504
Monoisotopic Mass565.15518
SMILESOCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@H]1O
InChIInChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1
InChIKeyNKUOSFBSKVBOJC-HVHHODJLSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pelargonidin 3-lathyroside (CHEBI:187655) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,5R)-2-[(2S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
24842055ChemSpider
LMPK12010008LIPID MAPS