input word = C00033762

Metabolite InformationStructural formula
Name Dentalactone
Formula C15H22O4
Mw 266.15180919
CAS RN 155662-30-9
C_ID C00033762 ,
InChIKey LWHRXFOPIDTJSG-MSABXMAYNA-N
InChICode InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-14,16-17H,1,4-5H2,2-3H3/t7-,8+,9-,10-,11+,12-,13+,14+/m0/s1
SMILES [C@H]12[C@H](C(=C)C[C@H]([C@@H]3[C@@H]1OC(=O)[C@@H]3C)O)C[C@@H]([C@@H]2C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeIxeris dentata Nakai Ref.
PlantaeAsteraceaeSoroseris hookeriana Stebbins subsp.erysimoides (Hand.Mazz.) Ref.
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