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CHEBI:205978 - Peyronetide A

ChEBI IDCHEBI:205978
ChEBI NamePeyronetide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO5
Net Charge0
Average Mass409.482
Monoisotopic Mass409.18892
SMILESCC[C@H](C)/C=C(\C)c1cc2cc3c(c(O)c2cn1)C(=O)[C@](O)(CC(C)=O)C(OC)=C3
InChIInChI=1S/C24H27NO5/c1-6-13(2)7-14(3)19-9-16-8-17-10-20(30-5)24(29,11-15(4)26)23(28)21(17)22(27)18(16)12-25-19/h7-10,12-13,27,29H,6,11H2,1-5H3/b14-7+/t13-,24-/m0/s1
InChIKeyYMENRVORZPDFTB-FVNLRBGESA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (30621059)
ChEBI Ontology
Outgoing Relation(s)
Peyronetide A (CHEBI:205978) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(8S)-8,10-dihydroxy-7-methoxy-3-[(E,4S)-4-methylhex-2-en-2-yl]-8-(2-oxopropyl)benzo[g]isoquinolin-9-one