(-)-6-epi-stephacidin A (CHEBI:219130)

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CHEBI:219130 - (-)-6-epi-stephacidin A

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ChEBI ID	CHEBI:219130
ChEBI Name	(-)-6-epi-stephacidin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H31N3O2
Net Charge	0
Average Mass	417.553
Monoisotopic Mass	417.24163
SMILES	CC1(C)C=Cc2c(ccc3c4c(nc23)C(C)(C)[C@@H]2C[C@]35CCCN3C[C@@]2(C4)NC5=O)O1
InChI	InChI=1S/C26H31N3O2/c1-23(2)10-8-16-18(31-23)7-6-15-17-12-25-14-29-11-5-9-26(29,22(30)28-25)13-19(25)24(3,4)21(17)27-20(15)16/h6-8,10,19,27H,5,9,11-14H2,1-4H3,(H,28,30)/t19-,25+,26-/m0/s1
InChIKey	JMBZQJZJAXXGDP-YZYNAAERSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus amoenus (ncbitaxon:1220191)	-	PubMed (29235872)

ChEBI Ontology

Outgoing Relation(s)
	(-)-6-epi-stephacidin A (CHEBI:219130) is a pyrroloquinoline (CHEBI:50918)

IUPAC Name
(1S,17S,19S)-9,9,16,16-tetramethyl-8-oxa-14,23,25-triazaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-3(15),4(13),5,7(12),10-pentaen-26-one