input word = C00005740

Metabolite InformationStructural formula
Name Myricetin 3,7-diglucoside
Formula C27H30O18
Mw 642.14321416
CAS RN 72078-29-6
C_ID C00005740 ,
InChIKey ZUULHXHHLWNLGP-WIBJRXENNA-N
InChICode InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)41-8-3-9(30)15-12(4-8)42-24(7-1-10(31)16(33)11(32)2-7)25(19(15)36)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2/t13-,14+,17+,18+,20-,21-,22+,23?,26+,27-/m0/s1
SMILES O=c1c(O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mangium Ref.
PlantaeOnagraceaeOenothera dissecta Ref.
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