input word = C00005684

Metabolite InformationStructural formula
Name Artemetin 5-glucosyl-(1->4)-rhamnoside
Formula C32H40O17
Mw 696.22654986
CAS RN 73815-14-2
C_ID C00005684 ,
InChIKey PAJMMZMRJVANIH-WVEVYXQANA-N
InChICode InChI=1S/C32H40O17/c1-12-26(48-32-24(38)22(36)20(34)18(11-33)47-32)23(37)25(39)31(45-12)49-29-19-16(10-17(42-4)28(29)43-5)46-27(30(44-6)21(19)35)13-7-8-14(40-2)15(9-13)41-3/h7-10,12,18,20,22-26,31-34,36-39H,11H2,1-6H3/t12-,18+,20-,22-,23+,24+,25+,26-,31-,32-/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)OC)c1ccc(c(c1)OC)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
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