input word = C00023346

Metabolite InformationStructural formula
Name Precalyone
Formula C22H32O5
Mw 376.22497413
CAS RN 71641-11-7
C_ID C00023346 ,
InChIKey RWQAIOGLVLEWEL-UHFFFAOYNA-N
InChICode InChI=1S/C22H32O5/c1-14-16(24)12-17-19(3,4)18(26-15(2)23)6-7-20(17,5)22(14)9-8-21(27-22)10-11-25-13-21/h10-11,14,17-18H,6-9,12-13H2,1-5H3/t14-,17-,18+,20-,21+,22-/m0/s1
SMILES CC(=O)OC1CCC2(C)C(CC(=O)C(C)C23CCC2(C=COC2)O3)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRoylea calycina Ref.
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