input word = C00012859

Metabolite InformationStructural formula
Name Arguticinin
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-dimethyloxiranecarboxylic acid
Formula C22H32O7
Mw 408.21480338
CAS RN 116497-04-2
C_ID C00012859 ,
InChIKey PPEMTMOKMZIGKS-PPQLMDEZNA-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-/m1/s1
SMILES C1=C(C(=O)C[C@@]2([C@@H]1[C@@]([C@@H](CC2)OC(=O)[C@]1([C@H](O1)C)C)(C)OC(=O)C)C)C(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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