input word = C00012824

Metabolite InformationStructural formula
Name [1R-[1alpha(E),2alpha,4abeta,5beta,7alpha]]-1,2,3,4,4a,5,6,7-Octahydro-7-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
Formula C24H32O5
Mw 400.22497413
CAS RN 119364-25-9
C_ID C00012824 ,
InChIKey RCNVBRCNVUOFOJ-BYKCFSFTNA-N
InChICode InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3/b11-10+/t18-,19-,20-,23+,24+/m0/s1
SMILES C1(=C2[C@@]([C@H](C[C@@H]1OO)O)(CC[C@H]([C@H]2OC(=O)/C=C/c1ccccc1)C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia artemisioides Ref.
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