input word = C00012023

Metabolite InformationStructural formula
Name [3aR-(3aalpha,5beta,6alpha,7aalpha)]-6-Ethenylhexahydro-6-methyl-3-methylene-5-(1-methylethenyl)-2(3H)-benzofuranone
Formula C15H20O2
Mw 232.14632988
CAS RN 69855-24-9
C_ID C00012023 ,
InChIKey IFASGTOWHLMHEZ-GMMMMNJQNA-N
InChICode InChI=1S/C15H20O2/c1-6-15(5)8-13-11(7-12(15)9(2)3)10(4)14(16)17-13/h6,11-13H,1-2,4,7-8H2,3,5H3/t11-,12+,13-,15-/m1/s1
SMILES C1[C@H]2[C@@H](C[C@@]([C@@H]1C(=C)C)(C)C=C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLiatris platylepis Ref.
PlantaeAsteraceaeStevia polyphylla Ref.
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