input word = C00012823

Metabolite InformationStructural formula
Name Odontin
(3alpha,4aalpha,5alpha,6beta,8abeta)-Octahydro-3-hydroperoxy-5,6-dihydroxy-5,8a-dimethyl-3-(1-methylethenyl)-2(1H)-naphthalenone
Formula C15H24O5
Mw 284.16237388
CAS RN 122398-16-7
C_ID C00012823 ,
InChIKey RPMPKAFPTWPJIX-DLHNUNGJNA-N
InChICode InChI=1S/C15H24O5/c1-9(2)15(20-19)7-10-13(3,8-12(15)17)6-5-11(16)14(10,4)18/h10-11,16,18-19H,1,5-8H2,2-4H3/t10-,11+,13-,14+,15+/m1/s1
SMILES C1[C@]2([C@H]([C@]([C@H](C1)O)(C)O)C[C@@](C(=O)C2)(C(=C)C)OO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
zoom in