input word = C00016322

Metabolite InformationStructural formula
Name (1Z,2E,4E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
Gelastatin B
Formula C14H16O4
Mw 248.104859
CAS RN 190721-37-0
C_ID C00016322 ,
InChIKey ACFXHMLFZGREFW-FOZCRLHDSA-N
InChICode InChI=1S/C14H16O4/c1-2-3-4-5-6-11-9-12(7-8-13(15)16)14(17)18-10-11/h2-6,9H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4+,11-6-
SMILES C/C=C/C=C/C=C/1\COC(=O)C(=C1)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSporormiaceaeWesterdykella multispora F50733F Ref.
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