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CHEBI:168627 - Delphinidin 3-arabinoside

Default Structure
ChEBI IDCHEBI:168627
ChEBI NameDelphinidin 3-arabinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19O11
Net Charge+1
Average Mass435.361
Monoisotopic Mass435.09219
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]1O
InChIInChI=1S/C20H18O11/c21-6-15-17(27)18(28)20(31-15)30-14-5-9-10(23)3-8(22)4-13(9)29-19(14)7-1-11(24)16(26)12(25)2-7/h1-5,15,17-18,20-21,27-28H,6H2,(H4-,22,23,24,25,26)/p+1/t15-,17+,18-,20+/m0/s1
InChIKeyWIEYMFHXYNRELM-ZNWBIBPKSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Delphinidin 3-arabinoside (CHEBI:168627) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
5-[3-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxychromenylium-2-yl]benzene-1,2,3-triol
Manual XrefsDatabases
30777225ChemSpider
HMDB0037998HMDB