EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205994 - Peyronetide D

ChEBI IDCHEBI:205994
ChEBI NamePeyronetide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCC[C@H](C)/C=C(\C)c1cc(=O)c2c(CC(=O)O)cc(O)cc2o1
InChIInChI=1S/C18H20O5/c1-4-10(2)5-11(3)15-9-14(20)18-12(7-17(21)22)6-13(19)8-16(18)23-15/h5-6,8-10,19H,4,7H2,1-3H3,(H,21,22)/b11-5+/t10-/m0/s1
InChIKeyCDHLYOFSVJGREB-XXNJBDPSSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (30621059)
ChEBI Ontology
Outgoing Relation(s)
Peyronetide D (CHEBI:205994) is a chromones (CHEBI:23238)
IUPAC Name 
2-[7-hydroxy-2-[(E,4S)-4-methylhex-2-en-2-yl]-4-oxochromen-5-yl]acetic acid