acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester (CHEBI:108971)

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CHEBI:108971 - acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester

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ChEBI ID	CHEBI:108971
ChEBI Name	acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester
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Downloads	Molfile

Formula	C28H21N3O5
Net Charge	0
Average Mass	479.492
Monoisotopic Mass	479.14812
SMILES	CC(=O)Oc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3C=CC=NN32)cc1
InChI	InChI=1S/C28H21N3O5/c1-16(32)36-21-12-9-18(10-13-21)26(33)25-24-23(22-7-4-14-29-31(22)25)27(34)30(28(24)35)20-11-8-17-5-2-3-6-19(17)15-20/h2-15,22-25H,1H3/t22-,23-,24-,25+/m0/s1
InChIKey	DZIALMJGWGUREU-OJJQZRKESA-N

ChEBI Ontology

Outgoing Relation(s)
	acetic acid [4-[[(3aS,4R,9aS,9bR)-2-(2-naphthalenyl)-1,3-dioxo-3a,4,9a,9b-tetrahydropyrrolo[1,2]pyrrolo[3,5-b]pyridazin-4-yl]-oxomethyl]phenyl] ester (CHEBI:108971) is a aromatic ketone (CHEBI:76224)

Manual Xrefs	Databases
LSM-20369	LINCS