input word = C00057760

Metabolite InformationStructural formula
Name Smaditerpenic acid D
Formula C21H34O4
Mw 350.24570957
CAS RN 1075135-11-3
C_ID C00057760
InChIKey UKRCSBUBFKITSK-NPPIUAQESA-N
InChICode InChI=1S/C21H34O4/c1-6-21(5,25)14-8-10-18(15-22)9-7-11-19(20(23)24)13-12-17(4)16(2)3/h6,10-11,16,22,25H,1,4,7-9,12-15H2,2-3,5H3,(H,23,24)/b18-10-,19-11-/t21-/m0/s1
SMILES C=C[C@](C)(O)CC/C=C(CO)CC/C=C(/CCC(=C)C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSmallanthus sonchifolius Ref.
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