input word = C00014113

Metabolite InformationStructural formula
Name Vicenin-1 6''-O-acetate
Formula C28H30O15
Mw 606.15847029
CAS RN 163345-99-1
C_ID C00014113 ,
InChIKey AIQCDEJOKQHKMO-NPIQYAIDNA-N
InChICode InChI=1S/C28H30O15/c1-9(29)40-8-15-20(34)23(37)25(39)28(43-15)18-22(36)17(27-24(38)19(33)13(32)7-41-27)21(35)16-12(31)6-14(42-26(16)18)10-2-4-11(30)5-3-10/h2-6,13,15,19-20,23-25,27-28,30,32-39H,7-8H2,1H3/t13-,15-,19-,20-,23+,24-,25-,27-,28+/m1/s1
SMILES c1(oc2c(c(=O)c1)c(c(c(c2[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O)O)[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeProsopis chilensis Ref.
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