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 OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium padifolium Ref.
PlantaeFabaceaeLathyrus spp. Ref.
PlantaeFabaceaePisum sativum Ref.
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