input word = C00044138

Metabolite InformationStructural formula
Name Cuscutic acid C
(-)-Cuscutic acid C
Formula C38H68O20
Mw 844.43039462
CAS RN 212071-47-1
C_ID C00044138 ,
InChIKey UMIZNBGNSRVDPH-DBCGDZBXNA-N
InChICode InChI=1S/C38H68O20/c1-5-13-20(14-11-9-7-6-8-10-12-15-22(40)41)54-37-33(28(47)24(43)18(3)53-37)58-38-34(29(48)26(45)21(16-39)55-38)57-36-31(50)32(25(44)19(4)52-36)56-35-30(49)27(46)23(42)17(2)51-35/h17-21,23-39,42-50H,5-16H2,1-4H3,(H,40,41)/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)C)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeCuscuta chinensis Ref.
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OrganismCuscuta chinensis
ReferenceDu,Phytochem.,48,(1998),843