input word = C00020702

Metabolite InformationStructural formula
Name [3aR-[3aalpha,4beta(S*),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 2-methylbutanoic acid
Formula C20H28O7
Mw 380.18350325
CAS RN 73021-06-4
C_ID C00020702 ,
InChIKey UGWSDSBZZKPRAP-BATMWMKXNA-N
InChICode InChI=1S/C20H28O7/c1-6-8(2)17(22)25-10-7-19(4,24)12-13(20(5)16(27-20)14(12)21)15-11(10)9(3)18(23)26-15/h8,10-16,21,24H,3,6-7H2,1-2,4-5H3/t8-,10+,11+,12-,13-,14-,15+,16+,19+,20-/m0/s1
SMILES [C@H]12[C@H]([C@@](C[C@H]([C@@H]3[C@H]1OC(=O)C3=C)OC(=O)[C@@H](C)CC)(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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