input word = C00019212

Metabolite InformationStructural formula
Name Torvanol A
4-Sulfate-2'-hydroxy-6,3'-dimethoxy-5'-(2-propenoic acid)isoflavone
Formula C20H20O10S
Mw 452.07771759
CAS RN 438050-67-0
C_ID C00019212 ,
InChIKey XKGLTSPFQHSIDD-XCYBSYLXNA-N
InChICode InChI=1S/C20H20O10S/c1-27-12-4-5-16-14(9-12)20(30-31(24,25)26)15(10-29-16)13-7-11(3-6-18(21)22)8-17(28-2)19(13)23/h3-9,15,20,23H,10H2,1-2H3,(H,21,22)(H,24,25,26)/b6-3+/t15-,20+/m1/s1
SMILES c1c(cc2c(c1)OC[C@@H]([C@H]2OS(=O)(=O)O)c1cc(cc(c1O)OC)/C=C/C(=O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum torvum Ref.
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