input word = C00044720

Metabolite InformationStructural formula
Name Diplyne B
Formula C16H19BrO2
Mw 322.05684275
CAS RN 539851-45-1
C_ID C00044720 ,
InChIKey VNGBJHIEIWROOZ-DHGQMYSUNA-N
InChICode InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12-/t16-/m1/s1
SMILES OC[C@H](O)C#CC#CCCCCCCC#C/C=CBr
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Diplastrella sp. Ref.
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