input word = C00020801

Metabolite InformationStructural formula
Name [3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
Formula C20H24O4
Mw 328.16745925
CAS RN 73021-33-7
C_ID C00020801 ,
InChIKey RNGMETUDLBUWQM-SLZDAYJVNA-N
InChICode InChI=1S/C20H24O4/c1-6-10(2)19(21)23-16-9-15-13(5)20(22)24-18(15)17-11(3)7-8-14(17)12(16)4/h6,14-18H,3-5,7-9H2,1-2H3/b10-6-/t14-,15-,16+,17-,18-/m0/s1
SMILES [C@@H]12[C@@H]([C@@H]3[C@@H](C[C@H](C1=C)OC(=O)/C(=C\C)/C)C(=C)C(=O)O3)C(=C)CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeZinnia acerosa Ref.
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OrganismZinnia acerosa
ReferenceBohlmann,Phytochem.,18,(1979),1343