input word = C00014875

Metabolite InformationStructural formula
Name Hirsutidin 3-O-(6-O-p-coumaroyl)glucoside
Formula C33H33O14
Mw 653.18703076
CAS RN 623571-84-6
C_ID C00014875 ,
InChIKey ANJACDQGGDOPEE-DMWHPFDXNA-O
InChICode InChI=1S/C33H32O14/c1-41-19-12-21(35)20-14-25(32(45-22(20)13-19)17-10-23(42-2)28(37)24(11-17)43-3)46-33-31(40)30(39)29(38)26(47-33)15-44-27(36)9-6-16-4-7-18(34)8-5-16/h4-14,26,29-31,33,38-40H,15H2,1-3H3,(H2-,34,35,36,37)/p+1/t26-,29-,30+,31-,33-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(cc1)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
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