input word = C00020703

Metabolite InformationStructural formula
Name [3aR-(3aalpha,4beta,6alpha,6aalpha,7beta,7abeta,8abeta,8balpha,8cbeta)]-Dodecahydro-6,7-dihydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno[2,3]azuleno[4,5-b]furan-4-yl ester 3-methylbutanoic acid
Formula C20H28O7
Mw 380.18350325
CAS RN 73021-07-5
C_ID C00020703 ,
InChIKey NZVGAGHOTYPHNG-BVQDQDKFNA-N
InChICode InChI=1S/C20H28O7/c1-8(2)6-11(21)25-10-7-19(4,24)13-14(20(5)17(27-20)15(13)22)16-12(10)9(3)18(23)26-16/h8,10,12-17,22,24H,3,6-7H2,1-2,4-5H3/t10-,12-,13+,14+,15+,16-,17-,19-,20+/m1/s1
SMILES [C@H]12[C@H]([C@@](C[C@H]([C@@H]3[C@H]1OC(=O)C3=C)OC(=O)CC(C)C)(O)C)[C@@H]([C@@H]1[C@@]2(C)O1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium anomalum Ref.
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