input word = C00019808

Metabolite InformationStructural formula
Name Calanone
Formula C27H20O5
Mw 424.13107375
CAS RN 158081-95-9
C_ID C00019808 ,
InChIKey YIMMSKZEXWJKNU-UHFFFAOYSA-N
InChICode InChI=1S/C27H20O5/c1-27(2)14-13-18-24(30)22(23(29)17-11-7-4-8-12-17)26-21(25(18)32-27)19(15-20(28)31-26)16-9-5-3-6-10-16/h3-15,30H,1-2H3
SMILES c1cc(ccc1)c1c2c(oc(=O)c1)c(c(c1c2OC(C=C1)(C)C)O)C(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum brasiliense Ref.
PlantaeCalophyllaceae/Clusiaceae/Clusiaceae-GuttiferaeCalophyllum teysmannii Ref.
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