Peniazaphilone A (CHEBI:220220)

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CHEBI:220220 - Peniazaphilone A

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ChEBI ID	CHEBI:220220
ChEBI Name	Peniazaphilone A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H29NO5
Net Charge	0
Average Mass	423.509
Monoisotopic Mass	423.20457
SMILES	CC[C@H](C)C=C(C)/C=C/C1=CC2=CC(=O)[C@@]3(C)OC(=O)C(C(C)=O)=C3C2=CN1CCO
InChI	InChI=1S/C25H29NO5/c1-6-15(2)11-16(3)7-8-19-12-18-13-21(29)25(5)23(20(18)14-26(19)9-10-27)22(17(4)28)24(30)31-25/h7-8,11-15,27H,6,9-10H2,1-5H3/b8-7+,16-11?/t15-,25+/m0/s1
InChIKey	GINSPIYWEDNKKY-PMFFRGFZSA-N

Species of Metabolite	Component	Source	Comments
Penicilliumspecies zj-27 (ncbitaxon:1400944)	-	DOI (10.1016/j.phytol.2016.10.010)

ChEBI Ontology

Outgoing Relation(s)
	Peniazaphilone A (CHEBI:220220) is a isoquinolines (CHEBI:24922)

IUPAC Name
(6aS)-9-acetyl-3-[(1E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-6a-methyluro[2,3-h]isoquinoline-6,8-dione

Manual Xrefs	Databases
78442087	ChemSpider