N-formyllapatin A (CHEBI:226888)

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CHEBI:226888 - N-formyllapatin A

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ChEBI ID	CHEBI:226888
ChEBI Name	N-formyllapatin A
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Submitter	MetaboLights
Downloads	Molfile

Formula	C24H19N5O4
Net Charge	0
Average Mass	441.447
Monoisotopic Mass	441.14370
SMILES	C[C@H]1C(=O)N2c3ccccc3[C@]3(C[C@H]4C(=O)N[C@@H]3c3nc5ccccc5c(=O)n34)[C@H]2N1C=O
InChI	InChI=1S/C24H19N5O4/c1-12-21(32)29-16-9-5-3-7-14(16)24(23(29)27(12)11-30)10-17-20(31)26-18(24)19-25-15-8-4-2-6-13(15)22(33)28(17)19/h2-9,11-12,17-18,23H,10H2,1H3,(H,26,31)/t12-,17-,18+,23-,24-/m0/s1
InChIKey	HPQKYBXWMZPYKB-ZEWIOJHOSA-N

Species of Metabolite	Component	Source	Comments
Penicillium adametzioides (ncbitaxon:70094)	-	DOI (10.1016/j.phytol.2014.08.018)

ChEBI Ontology

Outgoing Relation(s)
	N-formyllapatin A (CHEBI:226888) is a pyridopyrimidine (CHEBI:38932)

IUPAC Name
(1S,2'S,3'aS,12S,16S)-2'-methyl-1',3,14-trioxospiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-2,3a-dihydroimidazo[1,2-a]indole]-3'-carbaldehyde

Manual Xrefs	Databases
34981278	ChemSpider