input word = C00049995

Metabolite InformationStructural formula
Name Aplykurodin B
(-)-Aplykurodin B
Formula C20H32O3
Mw 320.23514489
CAS RN 101691-09-2
C_ID C00049995 ,
InChIKey WFIRRHJNPNGJBS-AODVOTJMNA-N
InChICode InChI=1S/C20H32O3/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/h6,13-17,19,21H,5,7-11H2,1-4H3/t13-,14+,15-,16+,17+,19+,20-/m1/s1
SMILES CC(C)=CCC[C@@H](C)[C@H]1C[C@@H]2OC(=O)C[C@@H]3[C@@H]2[C@]1(C)CC[C@@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia fasciata Ref.
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