input word = C00044137

Metabolite InformationStructural formula
Name Cuscutic acid B
(-)-Cuscutic acid B
Formula C37H66O20
Mw 830.41474455
CAS RN 212071-46-0
C_ID C00044137 ,
InChIKey HPMIZGDBXRXSCK-BSZDDMIYNA-N
InChICode InChI=1S/C37H66O20/c1-4-12-19(13-10-8-6-5-7-9-11-14-22(40)41)53-36-32(25(44)20(39)16-50-36)57-37-33(28(47)26(45)21(15-38)54-37)56-35-30(49)31(24(43)18(3)52-35)55-34-29(48)27(46)23(42)17(2)51-34/h17-21,23-39,42-49H,4-16H2,1-3H3,(H,40,41)/t17-,18-,19-,20+,21+,23-,24-,25-,26-,27+,28-,29+,30+,31+,32+,33+,34-,35-,36-,37-/m0/s1
SMILES CCC[C@@H](CCCCCCCCCC(=O)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)C(O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O
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