input word = C00041992

Metabolite InformationStructural formula
Name (+)-cis-Khellactone
Formula C14H14O5
Mw 262.08412356
CAS RN 24144-61-4
C_ID C00041992 ,
InChIKey HKXQUNNSKMWIKJ-BJBPJPDTNA-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/t11-,13-/m1/s1
SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSeseli devenyense Simonkai Ref.
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