input word = C00035740

Metabolite InformationStructural formula
Name Samaderine B
Formula C19H22O7
Mw 362.13655306
CAS RN 803-22-5
C_ID C00035740 ,
InChIKey CVLVYBSPYHCGGU-UHFFFAOYNA-N
InChICode InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14-,15-,17-,18-,19+/m1/s1
SMILES [C@@]12(C)[C@@H]3[C@@]4([C@@H]([C@@H]([C@H]1OC3=O)O)[C@]1([C@H](CC4=O)C(=CC(=O)[C@H]1O)C)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSamadera madagascariensis Ref.
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OrganismSamadera madagascariensis
ReferenceCoombes,Phytochem.,66,(2005),2734