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CHEBI:168056 - 6-Hydroxydelphinidin 3-glucoside

Default Structure
ChEBI IDCHEBI:168056
ChEBI Name6-Hydroxydelphinidin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21O13
Net Charge+1
Average Mass481.386
Monoisotopic Mass481.09767
SMILESOCC1O[C@@H](Oc2cc3c(O)c(O)c(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H20O13/c22-5-13-17(29)18(30)19(31)21(34-13)33-12-3-7-11(4-10(25)16(28)14(7)26)32-20(12)6-1-8(23)15(27)9(24)2-6/h1-4,13,17-19,21-22,29-31H,5H2,(H5-,23,24,25,26,27,28)/p+1/t13?,17-,18+,19?,21-/m1/s1
InChIKeyAHZRLDWIGPWRSX-RYSIUBAGSA-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)
6-Hydroxydelphinidin 3-glucoside (CHEBI:168056) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5,6,7-triol
Manual XrefsDatabases
24842474ChemSpider
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