input word = C00049946

Metabolite InformationStructural formula
Name 3-epi-Aplykurodinone B
(-)-3-epi-Aplykurodinone B
Formula C20H30O3
Mw 318.21949482
CAS RN 189818-73-3
C_ID C00049946 ,
InChIKey LILRNUJDHJYEPR-BACARIEQNA-N
InChICode InChI=1S/C20H30O3/c1-12(2)6-5-7-13(3)15-11-17-19-14(10-18(22)23-17)16(21)8-9-20(15,19)4/h6,13-15,17,19H,5,7-11H2,1-4H3/t13-,14-,15-,17+,19+,20-/m1/s1
SMILES C1(=O)O[C@@H]2[C@@H]3[C@H](C1)C(=O)CC[C@@]3([C@H](C2)[C@@H](CCC=C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia fasciata Ref.
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