input word = C00016321

Metabolite InformationStructural formula
Name (all-E)-5-(2,4-Hexadienylidene)-5,6-dihydro-2-oxo-2H-pyran-3-propanoic acid
Gelastatin A
Formula C14H16O4
Mw 248.104859
CAS RN 190721-36-9
C_ID C00016321 ,
InChIKey ACFXHMLFZGREFW-JCESNKCLSA-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=C1C=C(CCC(=O)O)C(=O)OC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiSporormiaceaeWesterdykella multispora F50733F Ref.
zoom in