input word = C00020077

Metabolite InformationStructural formula
Name [1S-[1alpha,2alpha(Z),4beta]]-1,2,3,4-Tetrahydro-7-methoxy-1,6-dimethyl-4-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
Formula C21H30O3
Mw 330.21949482
CAS RN 72943-96-5
C_ID C00020077 ,
InChIKey FVXRNEBVBKNUDR-ZEEARQQTNA-N
InChICode InChI=1S/C21H30O3/c1-8-13(4)21(22)24-20-10-16(12(2)3)18-9-14(5)19(23-7)11-17(18)15(20)6/h8-9,11-12,15-16,20H,10H2,1-7H3/b13-8-/t15-,16-,20+/m0/s1
SMILES C1[C@H]([C@H](c2c([C@@H]1C(C)C)cc(c(c2)OC)C)C)OC(=O)/C(=C\C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHeterotheca subaxillaris Ref.
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OrganismHeterotheca subaxillaris
ReferenceBohlmann,Phytochem.,18,(1979),1185