input word = C00040462

Metabolite InformationStructural formula
Name Termicalcicolanone A
Formula C23H22O6
Mw 394.14163844
CAS RN 929548-30-1
C_ID C00040462 ,
InChIKey LIBMYNVOSDZKIY-UHFFFAOYSA-N
InChICode InChI=1S/C23H22O6/c1-11(2)5-6-12-14(24)7-8-15-16(12)19(26)17-18(25)13-9-10-23(3,4)29-21(13)20(27)22(17)28-15/h5,7-10,24-25,27H,6H2,1-4H3
SMILES CC(C)=CCc1c(O)ccc2oc3c(O)c4c(c(O)c3c(=O)c12)C=CC(C)(C)O4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCombretaceaeTerminalia calcicola Ref.
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