input word = C00032478

Metabolite InformationStructural formula
Name Venkatasin
Formula C22H20O9
Mw 428.11073224
CAS RN 102070-29-1
C_ID C00032478 ,
InChIKey ICLAWMWLMZMRGC-NJPLCYPENA-N
InChICode InChI=1S/C22H20O9/c1-11(23)28-10-17-19(12-4-6-14(24)15(8-12)26-2)31-21-16(27-3)9-13-5-7-18(25)30-20(13)22(21)29-17/h4-9,17,19,24H,10H2,1-3H3/t17-,19-/m1/s1
SMILES c12c(cc(c3c1O[C@@H]([C@H](O3)c1cc(c(cc1)O)OC)COC(=O)C)OC)ccc(=O)o2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeHyoscyamus niger L. Ref.
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