input word = C00013076

Metabolite InformationStructural formula
Name Semopodin
2,3,3a,4,5,5a,6,9b-Octahydro-3,5a,9-trimethyl-2,6-dioxonaphtho[1,2-b]furan-3-yl ester 2-methyl-2-butenoic acid
Formula C20H24O5
Mw 344.16237388
CAS RN 60461-01-0
C_ID C00013076 ,
InChIKey LYOAWHWPLHHFLL-UHFFFAOYNA-N
InChICode InChI=1S/C20H24O5/c1-6-11(2)17(22)25-20(5)13-9-10-19(4)14(21)8-7-12(3)15(19)16(13)24-18(20)23/h6-8,13,16H,9-10H2,1-5H3/b11-6+/t13-,16+,19+,20+/m0/s1
SMILES [C@]12(C(=C(C=CC2=O)C)[C@H]2[C@H](CC1)[C@](C(=O)O2)(OC(=O)/C(=C/C)/C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula oopoda Ref.
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