input word = C00009594

Metabolite InformationStructural formula
Name Villol
6,12a-Dihydroxysumatrol
Formula C23H22O9
Mw 442.1263823
CAS RN 65206-37-3
C_ID C00009594 ,
InChIKey CDZUQIFWCXAIFB-UHFFFAOYNA-N
InChICode InChI=1S/C23H22O9/c1-9(2)13-5-10-14(30-13)7-12(24)18-19(10)32-21-22(26)31-15-8-17(29-4)16(28-3)6-11(15)23(21,27)20(18)25/h6-8,13,21-22,24,26-27H,1,5H2,2-4H3/t13-,21-,22+,23+/m0/s1
SMILES c12cc(c3c(c1C[C@H](O2)C(=C)C)O[C@@H]1[C@](C3=O)(c2cc(c(cc2O[C@H]1O)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTephrosia villosa Ref.
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