input word = C00047126

Metabolite InformationStructural formula
Name Woorenoside IV
Formula C35H44O15
Mw 704.26802074
CAS RN 166990-17-6
C_ID C00047126 ,
InChIKey NKHJLZUONNNHMW-BQYQJAHWNA-N
InChICode InChI=1S/C35H44O15/c1-18(9-10-36)34(41)48-17-27-28(38)29(39)30(40)35(49-27)46-11-7-8-20-12-22-23(16-47-19(2)37)31(50-32(22)24(13-20)42-3)21-14-25(43-4)33(45-6)26(15-21)44-5/h7-8,12-15,23,27-31,35-36,38-40H,1,9-11,16-17H2,2-6H3/b8-7+/t23-,27+,28-,29+,30+,31-,35+/m1/s1
SMILES c1(cc(c2c(c1)[C@H]([C@H](O2)c1cc(c(c(c1)OC)OC)OC)COC(=O)C)OC)/C=C/CO[C@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)COC(=O)C(=C)CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCoptis japonica Ref.
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