6-epi-stephacidin A (CHEBI:227748)

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CHEBI:227748 - 6-epi-stephacidin A

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ChEBI ID	CHEBI:227748
ChEBI Name	6-epi-stephacidin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H29N3O3
Net Charge	0
Average Mass	431.536
Monoisotopic Mass	431.22089
SMILES	CC1(C)C=Cc2c(ccc3c4c(nc23)C(C)(C)[C@H]2C[C@]35CCCN3C(=O)[C@@]2(C4)NC5=O)O1
InChI	InChI=1S/C26H29N3O3/c1-23(2)10-8-15-17(32-23)7-6-14-16-12-26-18(24(3,4)20(16)27-19(14)15)13-25(21(30)28-26)9-5-11-29(25)22(26)31/h6-8,10,18,27H,5,9,11-13H2,1-4H3,(H,28,30)/t18-,25+,26+/m1/s1
InChIKey	YCWBTRJVYADFLQ-LROUJFHJSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus taichungensis (ncbitaxon:482145)	-	PubMed (23550798)

ChEBI Ontology

Outgoing Relation(s)
	6-epi-stephacidin A (CHEBI:227748) is a pyrroloquinoline (CHEBI:50918)

IUPAC Name
(1S,17R,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-pentaene-24,26-dione

Manual Xrefs	Databases
21447234	ChemSpider