input word = C00024209

Metabolite InformationStructural formula
Name Geponin
Formula C33H28O21
Mw 760.11230796
CAS RN 155112-95-1
C_ID C00024209 ,
InChIKey RHKFRJASWOWCCU-NORKAUHONA-N
InChICode InChI=1S/C33H28O21/c34-9-21-27(46)28(52-30(47)10-3-14(36)22(41)15(37)4-10)29(53-31(48)11-5-16(38)23(42)17(39)6-11)33(51-21)54-32(49)12-7-18(40)24(43)20(8-12)50-19-2-1-13(35)25(44)26(19)45/h1-8,21,27-29,33-46H,9H2/t21-,27?,28+,29-,33-/m0/s1
SMILES O=C(OC1[C@H](O)C(CO)O[C@@H](OC(=O)c2cc(O)c(O)c(Oc3ccc(O)c(O)c3O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeGeum japonicum THUNB. Ref.
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