input word = C00032106

Metabolite InformationStructural formula
Name Paederosidic acid methyl ester
Formula C19H26O12S
Mw 478.11449703
CAS RN 122413-01-8
C_ID C00032106 ,
InChIKey JNDNZIPLLDTLQK-WQJICKENNA-N
InChICode InChI=1S/C19H26O12S/c1-27-16(25)8-6-28-17(31-18-15(24)14(23)13(22)10(4-20)30-18)11-7(3-9(21)12(8)11)5-29-19(26)32-2/h3,6,9-15,17-18,20-24H,4-5H2,1-2H3/t9-,10-,11-,12+,13-,14+,15-,17+,18+/m1/s1
SMILES O1C=C([C@@H]2[C@H]([C@@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(=C[C@H]2O)COC(=O)SC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePaederia scandens Ref.
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