input word = C00014092

Metabolite InformationStructural formula
Name Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside
Formula C31H34O16
Mw 662.18468504
CAS RN 212050-31-2
C_ID C00014092 ,
InChIKey YSGRAAYVNSIFGD-UVLMUKRCNA-N
InChICode InChI=1S/C31H34O16/c1-11-26(43-12(2)33)30(44-13(3)34)25(41)31(42-11)47-29-24(40)23(39)20(10-32)46-28(29)22-17(37)8-16(36)21-18(38)9-19(45-27(21)22)14-4-6-15(35)7-5-14/h4-9,11,20,23-26,28-32,35-37,39-41H,10H2,1-3H3/t11-,20+,23+,24-,25-,26-,28-,29-,30+,31-/m0/s1
SMILES c1(oc2c(c(=O)c1)c(cc(c2[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)OC(=O)C)OC(=O)C)O)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeCrataegus sinaica Ref.
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