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 CC(=O)OC1CCC2(C)C(CCc3ccoc3)=C(C)C(=O)CC2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRoylea calycina Ref.
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