input word = C00035508

Metabolite InformationStructural formula
Name 5beta,6-Dihydrosamaderine A
Formula C18H20O6
Mw 332.12598837
CAS RN 871580-10-8
C_ID C00035508 ,
InChIKey ZNVIVAQHEUAQOB-RWIKXEKGNA-N
InChICode InChI=1S/C18H20O6/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/h4,8,11-14,21H,5-6H2,1-3H3/t8-,11-,12-,13+,14+,16-,17+,18-/m1/s1
SMILES [C@@H]12[C@]3(OC[C@@]4([C@H]([C@H]1O)[C@@]1([C@H](CC4=O)C(=CC1=O)C)C)[C@H]3C(=O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSimaroubaceaeSamadera madagascariensis Ref.
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