input word = C00012863

Metabolite InformationStructural formula
Name 2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-7-hydroxy-5,8a-dimethyl-3-methylene-2-oxonaphtho[2,3-b]furan-8-yl ester 2-methylbutanoic acid
Formula C20H28O5
Mw 348.193674
CAS RN 90039-66-0
C_ID C00012863 ,
InChIKey PVWIUPXWXVHYTM-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-15(21)7-11(3)14-8-13-12(4)19(23)24-16(13)9-20(14,17)5/h7,10,13-17,21H,4,6,8-9H2,1-3,5H3/t10-,13+,14+,15-,16-,17+,20+/m1/s1
SMILES C1(=C[C@H]([C@@H]([C@@]2([C@H]1C[C@@H]1[C@@H](C2)OC(=O)C1=C)C)OC(=O)[C@@H](CC)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeWunderlichia mirabilis Ref.
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