input word = C00012826

Metabolite InformationStructural formula
Name [1R-[1alpha(E),2alpha,4abeta,5beta,8alpha,8aalpha]]- 1,2,3,4,4a,5,8,8a-Octahydro-8-hydroperoxy-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-1-naphthalenyl ester 3-phenyl-2-propenoic acid
Formula C24H32O5
Mw 400.22497413
CAS RN 119285-45-9
C_ID C00012826 ,
InChIKey IUDDWQSXVRXZGC-VEYDJMHLNA-N
InChICode InChI=1S/C24H32O5/c1-16(2)18-12-14-23(3)19(25)13-15-24(4,29-27)22(23)21(18)28-20(26)11-10-17-8-6-5-7-9-17/h5-11,13,15-16,18-19,21-22,25,27H,12,14H2,1-4H3/b11-10+/t18-,19-,21+,22-,23+,24+/m0/s1
SMILES [C@H]1([C@@]2([C@@H]([C@](C=C1)(C)OO)[C@@H]([C@@H](CC2)C(C)C)OC(=O)/C=C/c1ccccc1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAmbrosia artemisioides Ref.
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