input word = C00006715

Metabolite InformationStructural formula
Name Delphinidin 3-sambubioside-5-glucoside
Formula C32H39O21
Mw 759.19838331
CAS RN 36415-91-5
C_ID C00006715 ,
InChIKey SVKUZBZQDMYGEP-IIIOBYHVNA-O
InChICode InChI=1S/C32H38O21/c33-6-18-22(41)24(43)27(46)31(51-18)49-16-4-10(35)3-15-11(16)5-17(28(48-15)9-1-12(36)20(39)13(37)2-9)50-32-29(25(44)23(42)19(7-34)52-32)53-30-26(45)21(40)14(38)8-47-30/h1-5,14,18-19,21-27,29-34,38,40-46H,6-8H2,(H3-,35,36,37,39)/p+1/t14-,18-,19+,21-,22-,23-,24+,25-,26-,27-,29+,30-,31-,32-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)c1cc(c(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeFabaceaeLathyrus spp. Ref.
PlantaeFabaceaePisum sativum Ref.
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