input word = C00044402

Metabolite InformationStructural formula
Name (1Z,3E)-14-Acetoxy-1-chlorohexadeca-1,3-diene-5,7-diyne
Formula C18H23ClO2
Mw 306.13865769
CAS RN 539851-40-6
C_ID C00044402 ,
InChIKey PBRKYXWOYDVIQL-QFWNJNRPNA-N
InChICode InChI=1S/C18H23ClO2/c1-3-18(21-17(2)20)15-13-11-9-7-5-4-6-8-10-12-14-16-19/h10,12,14,16,18H,3,7,9,11,13,15H2,1-2H3/b12-10+,16-14-/t18-/m0/s1
SMILES CCC(CCCCCC#CC#C/C=C/C=CCl)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona lunisimilis Ref.
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