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CHEBI:219029 - Asperorydine B

ChEBI IDCHEBI:219029
ChEBI NameAsperorydine B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O4
Net Charge0
Average Mass393.443
Monoisotopic Mass393.16886
SMILESCC(=N)C1=C(O)[C@@H]2[C@H]3c4c(O)c(=O)n(C)c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
InChIInChI=1S/C22H23N3O4/c1-9(23)13-18(26)17-15-11(22(2,3)25(17)20(13)28)8-10-6-5-7-12-14(10)16(15)19(27)21(29)24(12)4/h5-7,11,15,17,23,26-27H,8H2,1-4H3/t11-,15-,17+/m1/s1
InChIKeySREDNEAAWGFTAO-JGFGOQIWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
ChEBI Ontology
Outgoing Relation(s)
Asperorydine B (CHEBI:219029) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(2R,3S,9R)-5-ethanimidoyl-4,18-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.7.1.02,9.03,7.015,19]nonadeca-1(18),4,11(19),12,14-pentaene-6,17-dione
Manual XrefsDatabases
78439489ChemSpider