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 C=C(C)[C@@]1(OO)C[C@@H]2[C@](C)(CC[C@H](O)[C@@]2(C)O)CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePluchea arguta Ref.
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