CHEBI:205978 - Peyronetide A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Peyronetide A
ChEBI ID CHEBI:205978
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H27NO5
Net Charge 0
Average Mass 409.482
Monoisotopic Mass 409.18892
InChI InChI=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
InChIKey YMENRVORZPDFTB-FVNLRBGESA-N
SMILES O=C1C2=C(O)C=3C(=CC(/C(=C/[C@H](CC)C)/C)=NC3)C=C2C=C([C@@]1(O)CC(=O)C)OC
Metabolite of Species Details
Didymella (NCBI:txid55170) See: PubMed
ChEBI Ontology
Outgoing 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