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CHEBI:199809 - 21-hydroxystephacidin A

ChEBI IDCHEBI:199809
ChEBI Name21-hydroxystephacidin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O4
Net Charge0
Average Mass461.562
Monoisotopic Mass461.23146
SMILESCC1(C)C=Cc2c(ccc3c4c(nc23)C(C)(C)[C@@H]2CC[C@]35CCCN3C(=O)[C@]2(NC5=O)[C@H]4O)O1
InChIInChI=1S/C27H31N3O4/c1-24(2)11-8-14-16(34-24)7-6-15-18-20(28-19(14)15)25(3,4)17-9-12-26-10-5-13-30(26)23(33)27(17,21(18)31)29-22(26)32/h6-8,11,17,21,28,31H,5,9-10,12-13H2,1-4H3,(H,29,32)/t17-,21-,26-,27+/m0/s1
InChIKeyXCPQIMUREABTHB-CZQHCSHRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ostianus (ncbitaxon:138279) - DOI (10.3987/com-09-11702)
ChEBI Ontology
Outgoing Relation(s)
21-hydroxystephacidin A (CHEBI:199809) is a carbazoles (CHEBI:48513)
IUPAC Name 
(1R,2S,17S,20R)-2-hydroxy-9,9,16,16-tetramethyl-8-oxa-14,24,26-triazaheptacyclo[18.5.2.01,17.03,15.04,13.07,12.020,24]heptacosa-3(15),4(13),5,7(12),10-pentaene-25,27-dione
Manual XrefsDatabases
27024445ChemSpider