input word = C00006419

Metabolite InformationStructural formula
Name Occidentoside
Formula C36H32O15
Mw 704.17412036
CAS RN 77782-91-3
C_ID C00006419 ,
InChIKey QAYDNOZSJGIPSH-NRFNVQLDNA-N
InChICode InChI=1S/C36H32O15/c37-14-25-29(43)33(47)34(48)35(51-25)28-30(44)27(20(40)10-3-15-1-6-17(38)7-2-15)31(45)36(32(28)46)49-19-8-4-16(5-9-19)23-13-22(42)26-21(41)11-18(39)12-24(26)50-23/h1-12,23,25,29,33-35,37-39,41,43-48H,13-14H2/b10-3+/t23-,25-,29-,33-,34-,35+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)Oc1c(c(c(c(c1O)[C@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)O)C(=O)/C=C/c1ccc(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeAnacardium occidentale Ref.
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