input word = C00005242

Metabolite InformationStructural formula
Name Sagittatin A
Formula C32H38O18
Mw 710.20581441
CAS RN 124704-85-4
C_ID C00005242 ,
InChIKey MRMCTOUWTYMNOX-BUVBKRTQNA-N
InChICode InChI=1S/C32H38O18/c1-10-19(36)23(40)26(43)31(45-10)47-14-7-15(34)18-17(8-14)48-27(12-3-5-13(33)6-4-12)28(22(18)39)49-32-29(24(41)20(37)11(2)46-32)50-30-25(42)21(38)16(35)9-44-30/h3-8,10-11,16,19-21,23-26,29-38,40-43H,9H2,1-2H3/t10-,11+,16-,19+,20+,21+,23+,24-,25+,26+,29+,30-,31+,32+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)O)O)C)c1ccc(cc1)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
zoom in