input word = C00042331

Metabolite InformationStructural formula
Name Calanolide E2
(+)-Calanolide E2
Formula C22H28O6
Mw 388.18858863
CAS RN 179605-71-1
C_ID C00042331 ,
InChIKey VDFFZEMWVLHHOC-UHFFFAOYNA-N
InChICode InChI=1S/C22H28O6/c1-10(2)14-9-15(24)27-21-16(14)20-13(7-8-22(5,6)28-20)19(26)17(21)18(25)11(3)12(4)23/h7-8,10-12,14,23,26H,9H2,1-6H3/t11-,12-,14-/m0/s1
SMILES CC(C)C1CC(=O)Oc2c(C(=O)C(C)C(C)O)c(O)c3c(c21)OC(C)(C)C=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum membranaceum Ref.
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