input word = C00003729

Metabolite InformationStructural formula
Name Samaderin A
Samaderine A
(-)-Samaderine A
Formula C18H18O6
Mw 330.11033831
CAS RN 64364-76-7
C_ID C00003729 ,
InChIKey BHRGGWSNTHQGED-HEPSMMEINA-N
InChICode InChI=1S/C18H18O6/c1-7-4-9(19)16(2)8(7)5-10(20)18-6-23-17(3)13(18)15(22)24-14(17)11(21)12(16)18/h4-5,11-14,21H,6H2,1-3H3/t11-,12-,13+,14+,16-,17+,18-/m1/s1
SMILES [C@@]12(C(=CC(=O)[C@]34[C@@H]1[C@H]([C@H]1[C@]([C@@H]3C(=O)O1)(OC4)C)O)C(=CC2=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeQuassia indica Ref.
PlantaeSimaroubaceaeSamadera madagascariensis Ref.
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