input word = C00006717

Metabolite InformationStructural formula
Name Delphinidin 3-rutinoside-5-glucoside
Formula C33H41O21
Mw 773.21403338
CAS RN 29837-24-9
C_ID C00006717 ,
InChIKey BMDKCVRDDZIEMR-WJTMRUGJNA-O
InChICode InChI=1S/C33H40O21/c1-9-20(38)24(42)27(45)31(49-9)48-8-19-23(41)26(44)29(47)33(54-19)52-17-6-12-15(50-30(17)10-2-13(36)21(39)14(37)3-10)4-11(35)5-16(12)51-32-28(46)25(43)22(40)18(7-34)53-32/h2-6,9,18-20,22-29,31-34,38,40-47H,7-8H2,1H3,(H3-,35,36,37,39)/p+1/t9-,18+,19-,20+,22-,23-,24+,25+,26-,27-,28-,29-,31-,32-,33-/m1/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeFabaceaeVicia villosa Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaeRanunculaceaeConsolida orientalis Ref.
PlantaeSolanaceaePetunia reitzii Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeSolanaceaeSolanum melongena Ref.
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OrganismSolanum lycopersicum
Referencehttps://doi.org/10.1104/pp.106.078428