input word = C00022259

Metabolite InformationStructural formula
Name Calyone
Formula C22H32O5
Mw 376.22497413
CAS RN 71698-14-1
C_ID C00022259 ,
InChIKey MGPCHTJKOBYJBU-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O5/c1-14-17(24)12-18-20(3,4)19(27-15(2)23)7-9-21(18,5)22(14,25)10-6-16-8-11-26-13-16/h8,11,13-14,18-19,25H,6-7,9-10,12H2,1-5H3/t14-,18-,19-,21-,22+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@]([C@H](C(=O)C2)C)(CCc1cocc1)O)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRoylea calycina Ref.
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OrganismRoylea calycina
ReferencePrakesh,J. Chem. Soc. Perkin Trans. I,(1979),1305