input word = C00031322

Metabolite InformationStructural formula
Name Scopadulcic acid C
Formula C26H34O4
Mw 410.24570957
CAS RN 178443-12-4
C_ID C00031322 ,
InChIKey FNQZMWFGVBMQLB-UHFFFAOYNA-N
InChICode InChI=1S/C26H34O4/c1-24(16-27)10-6-11-25(2)22(24)21(30-23(29)17-7-4-3-5-8-17)14-19-13-20(28)18-9-12-26(19,25)15-18/h3-5,7-8,18-19,21-22,27H,6,9-16H2,1-2H3/t18-,19-,21+,22+,24-,25+,26-/m1/s1
SMILES CC1(CO)CCCC2(C)C1C(OC(=O)c1ccccc1)CC1CC(=O)C3CCC12C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeScoparia dulcis L. Ref.
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