EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168213 - Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)

ChEBI IDCHEBI:168213
ChEBI NameLeucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O17
Net Charge0
Average Mass630.552
Monoisotopic Mass630.17960
SMILESCC1O[C@@H](OC2C(O)c3c(O)cc(O)cc3OC2c2cc(O)c(O)c(O)c2)[C@@H](O)C(O)[C@H]1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C27H34O17/c1-7-23(43-27-21(38)19(36)17(34)14(6-28)42-27)20(37)22(39)26(40-7)44-25-18(35)15-10(30)4-9(29)5-13(15)41-24(25)8-2-11(31)16(33)12(32)3-8/h2-5,7,14,17-39H,6H2,1H3/t7?,14?,17-,18?,19?,20?,21?,22+,23+,24?,25?,26+,27+/m1/s1
InChIKeyLTQCWUJVAPKOBF-JQGVDKNXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside) (CHEBI:168213) is a flavonoids (CHEBI:72544)
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1->4)-alpha-L-rhamnopyranoside) (CHEBI:168213) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,3S,5R)-3,4-dihydroxy-6-methyl-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
Manual XrefsDatabases
LMPK12020207LIPID MAPS
24842621ChemSpider