input word = C00010611

Metabolite InformationStructural formula
Name Senburiside II
Formula C30H32O14
Mw 616.17920573
CAS RN 109770-92-5
C_ID C00010611 ,
InChIKey NEICHVDTJPKDLU-JKNHZVMWNA-N
InChICode InChI=1S/C30H32O14/c1-13-20(42-28(39)15-5-3-7-17(9-15)41-27(38)14-4-2-6-16(32)8-14)10-18-19(26(36)37)12-40-29(22(13)18)44-30-25(35)24(34)23(33)21(11-31)43-30/h2-9,12-13,18,20-25,29-35H,10-11H2,1H3,(H,36,37)/t13-,18+,20+,21+,22+,23+,24-,25+,29+,30-/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1[C@H]2[C@@H](C(=CO1)C(=O)O)C[C@H]([C@@H]2C)OC(=O)c1cc(ccc1)OC(=O)c1cc(ccc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeSwertia japonica Ref.
zoom in