input word = C00012858

Metabolite InformationStructural formula
Name Epiarguticinin
1-(Acetyloxy)-1,2,3,4,4a,5,6,8a-Octahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-6-oxo-2-naphthalenyl ester 2,3-dimethyl-oxiranecarboxylic acid
Formula C22H32O7
Mw 408.21480338
CAS RN 68799-58-6
C_ID C00012858 ,
InChIKey PPEMTMOKMZIGKS-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O7/c1-12-21(6,28-12)18(25)27-17-8-9-20(5)11-15(24)14(19(3,4)26)10-16(20)22(17,7)29-13(2)23/h10,12,16-17,26H,8-9,11H2,1-7H3/t12-,16-,17+,20+,21+,22+/m0/s1
SMILES CC(=O)OC1(C)C(OC(=O)C2(C)OC2C)CCC2(C)CC(=O)C(C(C)(C)O)=CC21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea foetida Ref.
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