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 C=C(CCO)C(=O)OCC1OC(OC/C=C/c2cc(OC)c3c(c2)C(COC(C)=O)C(c2cc(OC)c(OC)c(OC)c2)O3)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeCoptis japonica Ref.
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