input word = C00022274

Metabolite InformationStructural formula
Name Calyenone
Formula C22H30O4
Mw 358.21440945
CAS RN 71641-12-8
C_ID C00022274 ,
InChIKey WDMYWPSUQZKSFN-UHFFFAOYNA-N
InChICode InChI=1S/C22H30O4/c1-14-17(7-6-16-9-11-25-13-16)22(5)10-8-20(26-15(2)23)21(3,4)19(22)12-18(14)24/h9,11,13,19-20H,6-8,10,12H2,1-5H3/t19-,20-,22-/m1/s1
SMILES C1[C@H](C([C@@H]2[C@](C1)(C(=C(C(=O)C2)C)CCc1cocc1)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
ReferencePrakash,J. Chem. Soc. Perkin Trans. I,(1979),1305