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CHEBI:205110 - N-hydroxy-6-epi-stephacidin A

ChEBI IDCHEBI:205110
ChEBI NameN-hydroxy-6-epi-stephacidin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCC1(C)C=Cc2c(ccc3c4c(n(O)c23)C(C)(C)[C@H]2C[C@]35CCCN3C(=O)[C@@]2(C4)NC5=O)O1
InChIInChI=1S/C26H29N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,18,32H,5,9,11-13H2,1-4H3,(H,27,30)/t18-,25+,26+/m1/s1
InChIKeyXRIDAPFEFSQMPC-LROUJFHJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus taichungensis (ncbitaxon:482145) - PubMed (23550798)
ChEBI Ontology
Outgoing Relation(s)
N-hydroxy-6-epi-stephacidin A (CHEBI:205110) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,17R,19S)-14-hydroxy-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 XrefsDatabases
29215688ChemSpider