input word = C00049690

Metabolite InformationStructural formula
Name 1-Deacetoxy-8-deoxyalgoane
Formula C15H25Br2ClO
Mw 413.99606893
CAS RN 251450-54-1
C_ID C00049690 ,
InChIKey JJIDHOHXEQUISB-OMKVGYKTNA-N
InChICode InChI=1S/C15H25Br2ClO/c1-12(2)10(16)5-6-14(12,4)15(19)8-7-13(3,18)11(17)9-15/h10-11,19H,5-9H2,1-4H3/t10-,11-,13-,14+,15+/m0/s1
SMILES [C@H]1([C@@](CC[C@@](C1)([C@]1(C([C@H](CC1)Br)(C)C)C)O)(C)Cl)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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OrganismAplysia dactylomela
ReferenceMcPhail,J.Nat.Prod.,62,(1999),1618