input word = C00049142

Metabolite InformationStructural formula
Name Cuscutic acid A2
(-)-Cuscutic acid A2
Formula C32H58O16
Mw 698.37248581
CAS RN 226891-54-9
C_ID C00049142 ,
InChIKey GGULKEHQLYESHT-KVVCCEEKNA-N
InChICode InChI=1S/C32H58O16/c1-4-12-18(13-10-8-6-5-7-9-11-14-20(34)35)45-31-28(25(40)22(37)17(3)44-31)48-32-29(26(41)23(38)19(15-33)46-32)47-30-27(42)24(39)21(36)16(2)43-30/h16-19,21-33,36-42H,4-15H2,1-3H3,(H,34,35)/t16-,17+,18-,19+,21-,22-,23-,24+,25-,26-,27+,28+,29+,30-,31-,32-/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](CCC)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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