input word = C00020745

Metabolite InformationStructural formula
Name [1R-(1alpha,4beta,4abeta,6alpha,8aalpha)]-4-Ethoxy-1,2,3,4,4a,5,6,8a-octahydro-6-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
Formula C18H28O4
Mw 308.19875938
CAS RN 91896-93-4
C_ID C00020745 ,
InChIKey MANZEPPAFJOHLB-ZGIMUMDFNA-N
InChICode InChI=1S/C18H28O4/c1-6-22-18(4)8-7-13(12(3)17(20)21-5)14-9-11(2)16(19)10-15(14)18/h9,13-16,19H,3,6-8,10H2,1-2,4-5H3/t13-,14+,15+,16-,18+/m0/s1
SMILES C=C(C(=O)OC)[C@@H]1CC[C@@](C)(OCC)[C@@H]2C[C@H](O)C(C)=C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLeucanthemopsis pulverulenta Ref.
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