input word = C00051138

Metabolite InformationStructural formula
Name Khellactone
Formula C14H14O5
Mw 262.08412356
CAS RN 518-76-3
C_ID C00051138
InChIKey HKXQUNNSKMWIKJ-UHFFFAOYNA-N
InChICode InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3
SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus tachibana Ref.
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