input word = C00059727

Metabolite InformationStructural formula
Name 3,9,12-Pentadecatrien-1-yne-6,7-diol, 7-acetate
Formula C17H24O3
Mw 276.17254463
CAS RN 135730-76-6
C_ID C00059727
InChIKey DEBTVHMZVGYEHL-UHFFFAOYSA-N
InChICode InChI=1S/C17H24O3/c1-4-6-8-9-10-12-14-17(20-15(3)18)16(19)13-11-7-5-2/h2,6-8,10-12,16-17,19H,4,9,13-14H2,1,3H3
SMILES C#CC=CCC(O)C(CC=CCC=CCC)OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia nipponica Ref.
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