input word = C00009592

Metabolite InformationStructural formula
Name Villosinol
12a-Hydroxysumatrol
Formula C23H22O8
Mw 426.13146768
CAS RN 60077-63-6
C_ID C00009592 ,
InChIKey JCJPVNDLAAXNEX-UHFFFAOYNA-N
InChICode InChI=1S/C23H22O8/c1-10(2)14-5-11-15(30-14)7-13(24)20-21(11)31-19-9-29-16-8-18(28-4)17(27-3)6-12(16)23(19,26)22(20)25/h6-8,14,19,24,26H,1,5,9H2,2-4H3/t14-,19+,23+/m0/s1
SMILES c12cc(c3c(c1C[C@H](O2)C(=C)C)O[C@H]1[C@@](C3=O)(c2cc(c(cc2OC1)OC)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeTephrosia villosa Ref.
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