input word = C00049141

Metabolite InformationStructural formula
Name Cuscutic acid A1
(-)-Cuscutic acid A1
Formula C34H62O16
Mw 726.40378593
CAS RN 226891-46-9
C_ID C00049141 ,
InChIKey DSQKNZNQTGUADI-OXSTXOGGNA-N
InChICode InChI=1S/C34H62O16/c1-4-5-11-14-20(15-12-9-7-6-8-10-13-16-22(36)37)47-33-30(27(42)24(39)19(3)46-33)50-34-31(28(43)25(40)21(17-35)48-34)49-32-29(44)26(41)23(38)18(2)45-32/h18-21,23-35,38-44H,4-17H2,1-3H3,(H,36,37)/t18-,19+,20-,21+,23-,24-,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-/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)C)O[C@@H](CCCCC)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.
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