input word = C00057759

Metabolite InformationStructural formula
Name Smaditerpenic acid B
Formula C20H32O4
Mw 336.23005951
CAS RN 1075135-09-9
C_ID C00057759
InChIKey ACCLBNYEFRAUCK-BIDMWUBCSA-N
InChICode InChI=1S/C20H32O4/c1-5-20(4,24)14-8-11-17(15-21)10-7-13-18(19(22)23)12-6-9-16(2)3/h5,9,11,13,21,24H,1,6-8,10,12,14-15H2,2-4H3,(H,22,23)/b17-11-,18-13-/t20-/m0/s1
SMILES C=C[C@](C)(O)CC/C=C(CO)CC/C=C(/CCC=C(C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSmallanthus sonchifolius Ref.
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