input word = C00044118

Metabolite InformationStructural formula
Name Carnosic acid methyl ester
Formula C21H30O4
Mw 346.21440945
CAS RN 82684-06-8
C_ID C00044118 ,
InChIKey IIJLVJMZYPZQLW-FFPNMHRKNA-N
InChICode InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15-,21+/m0/s1
SMILES COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia officinalis Ref.
--Hypis dilatata Ref.
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