input word = C00006705

Metabolite InformationStructural formula
Name Delphinidin 3-sophoroside
Formula C27H31O17
Mw 627.15612457
CAS RN 59212-40-7
C_ID C00006705 ,
InChIKey UYLDMCQVSGIZMI-PGGWXGSYNA-O
InChICode InChI=1S/C27H30O17/c28-6-16-19(35)21(37)23(39)26(42-16)44-25-22(38)20(36)17(7-29)43-27(25)41-15-5-10-11(31)3-9(30)4-14(10)40-24(15)8-1-12(32)18(34)13(33)2-8/h1-5,16-17,19-23,25-29,35-39H,6-7H2,(H4-,30,31,32,33,34)/p+1/t16-,17-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePisum sativum Ref.
PlantaeGrossulariaceaeRibes nigrum Ref.
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