input word = C00049143

Metabolite InformationStructural formula
Name Cuscutic acid A3
Formula C32H58O17
Mw 714.36740043
CAS RN 226891-58-3
C_ID C00049143 ,
InChIKey RWVPJPVFCOXOKZ-WJSGFAJDNA-N
InChICode InChI=1S/C32H58O17/c1-3-11-17(12-9-7-5-4-6-8-10-13-20(35)36)45-31-28(25(41)22(38)18(14-33)46-31)49-32-29(26(42)23(39)19(15-34)47-32)48-30-27(43)24(40)21(37)16(2)44-30/h16-19,21-34,37-43H,3-15H2,1-2H3,(H,35,36)/t16-,17-,18+,19+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31+,32-/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H](CCC)CCCCCCCCCC(=O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeCuscuta australis Ref.
zoom in