input word = C00057044

Metabolite InformationStructural formula
Name Samin
Formula C13H14O5
Mw 250.08412356
CAS RN 138812-87-0
C_ID C00057044
InChIKey DRUQKRWRXOUEGS-NGERZBJRSA-N
InChICode InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2/t8-,9-,12+,13-/m0/s1
SMILES O[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePedaliaceaeSesamum sp. Ref.
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OrganismSesamum sp.
ReferenceBoesken, J. et al., Recl. Trav. Chim. (J. R. Neth. Chem. Soc.), 1936, 55, 815