input word = C00044136

Metabolite InformationStructural formula
Name Cuscutic acid A
(-)-Cuscutic acid A
Formula C38H68O21
Mw 860.42530924
CAS RN 212071-45-9
C_ID C00044136 ,
InChIKey WUBQHJMOXALBIL-INKXWBDYNA-N
InChICode InChI=1S/C38H68O21/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(41)42)54-37-33(28(48)25(45)20(15-39)55-37)59-38-34(29(49)26(46)21(16-40)56-38)58-36-31(51)32(24(44)18(3)53-36)57-35-30(50)27(47)23(43)17(2)52-35/h17-21,23-40,43-51H,4-16H2,1-3H3,(H,41,42)/t17-,18-,19-,20+,21+,23-,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38-/m0/s1
SMILES [C@@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)C)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H](CCCCCCCCCC(=O)O)CCC)CO)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeCuscuta chinensis Ref.
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