input word = C00009578

Metabolite InformationStructural formula
Name Villosin
6-Hydroxysumatrol
Formula C23H22O8
Mw 426.13146768
CAS RN 65160-15-8
C_ID C00009578 ,
InChIKey RMAYNNFCPNGTQW-UHFFFAOYNA-N
InChICode InChI=1S/C23H22O8/c1-9(2)13-6-11-14(29-13)7-12(24)19-20(25)18-10-5-16(27-3)17(28-4)8-15(10)30-23(26)22(18)31-21(11)19/h5,7-8,13,18,22-24,26H,1,6H2,2-4H3/t13-,18-,22+,23-/m0/s1
SMILES c12cc(c3c(c1C[C@H](O2)C(=C)C)O[C@@H]1[C@H](C3=O)c2cc(c(cc2O[C@@H]1O)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTephrosia villosa Ref.
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