input word = C00058241

Metabolite InformationStructural formula
Name Solanoflavone
Formula C43H40O22
Mw 908.20112297
CAS RN 872868-63-8
C_ID C00058241
InChIKey LIEUCZDOVVYPPH-FIJJHWJBSA-N
InChICode InChI=1S/C43H42O22/c1-58-23-8-16(39-41(33(53)29-21(49)10-18(47)12-25(29)61-39)65-43-37(57)35(55)31(51)27(14-45)63-43)4-7-22(23)59-19-5-2-15(3-6-19)38-40(32(52)28-20(48)9-17(46)11-24(28)60-38)64-42-36(56)34(54)30(50)26(13-44)62-42/h2-12,26-27,30-31,34-37,39,41-51,54-57H,13-14H2,1H3/t26-,27-,30-,31-,34+,35+,36-,37-,39?,41?,42+,43+/m1/s1
SMILES COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1Oc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum melongena Ref.
zoom in