input word = C00010143

Metabolite InformationStructural formula
Name Orobol 7-O-sophoroside
Compactin(Genista)
Formula C27H30O16
Mw 610.15338491
CAS RN 101072-83-7
C_ID C00010143 ,
InChIKey VGMFHMLQOYWYHN-LQFSOFLONA-N
InChICode InChI=1S/C27H30O16/c28-6-16-20(34)22(36)24(38)26(41-16)43-25-23(37)21(35)17(7-29)42-27(25)40-10-4-14(32)18-15(5-10)39-8-11(19(18)33)9-1-2-12(30)13(31)3-9/h1-5,8,16-17,20-32,34-38H,6-7H2/t16-,17-,20-,21-,22+,23+,24+,25-,26+,27-/m1/s1
SMILES O=c1c(-c2ccc(O)c(O)c2)coc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGenista compacta Ref.
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