input word = C00044139

Metabolite InformationStructural formula
Name Cuscutic acid D
(-)-Cuscutic acid D
Formula C40H72O21
Mw 888.45660937
CAS RN 212071-48-2
C_ID C00044139 ,
InChIKey IIIBAFGYJYVDRT-ULLPYJGBNA-N
InChICode InChI=1S/C40H72O21/c1-4-5-11-14-21(15-12-9-7-6-8-10-13-16-24(43)44)56-39-35(30(50)27(47)22(17-41)57-39)61-40-36(31(51)28(48)23(18-42)58-40)60-38-33(53)34(26(46)20(3)55-38)59-37-32(52)29(49)25(45)19(2)54-37/h19-23,25-42,45-53H,4-18H2,1-3H3,(H,43,44)/t19-,20-,21-,22+,23+,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,35+,36+,37-,38-,39+,40-/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](O[C@@H]([C@@H]([C@@H]1O)O)CO)O[C@@H](CCCCC)CCCCCCCCCC(=O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeCuscuta chinensis Ref.
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