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CHEBI:192458 - Salviadelphin

ChEBI IDCHEBI:192458
ChEBI NameSalviadelphin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H41O26
Net Charge+1
Average Mass961.764
Monoisotopic Mass961.18806
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2cc(O)cc3[o+]c(-c4cc(O)c(O)c(O)c4)c(O[C@@H]4OC(COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)C(O)C4O)cc23)C(O)[C@@H](O)[C@@H]1OC(=O)CC(=O)O
InChIInChI=1S/C42H40O26/c43-17-8-23-18(24(9-17)64-42-38(60)36(58)40(68-32(54)12-29(50)51)27(67-42)14-62-31(53)11-28(48)49)10-25(39(63-23)16-6-21(46)33(55)22(47)7-16)65-41-37(59)35(57)34(56)26(66-41)13-61-30(52)4-2-15-1-3-19(44)20(45)5-15/h1-10,26-27,34-38,40-42,56-60H,11-14H2,(H7-,43,44,45,46,47,48,49,50,51,52,55)/p+1/t26?,27?,34-,35?,36-,37?,38?,40-,41-,42-/m1/s1
InChIKeyISORUJJVGRWMCI-CMPHAYDESA-O
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
Salviadelphin (CHEBI:192458) is a flavonoid (CHEBI:47916)
Salviadelphin (CHEBI:192458) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[(3S,4R,6S)-3-(2-carboxyacetyl)oxy-6-[3-[(2S,5S)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxy-4,5-dihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
24842349ChemSpider
LMPK12010302LIPID MAPS