input word = C00032999

Metabolite InformationStructural formula
Name Gladiatoside C2
Formula C29H26O12
Mw 566.1424263
CAS RN 316141-30-7
C_ID C00032999 ,
InChIKey LEIRBJWWXASKQN-QPKPBSKYNA-N
InChICode InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3/t13-,22-,24+,27+,29-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)OC(=O)c1c(cccc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCanavalia gladiata Ref.
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