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CHEBI:216683 - 21-epi-taichunamide D

ChEBI IDCHEBI:216683
ChEBI Name21-epi-taichunamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5S
Net Charge0
Average Mass509.628
Monoisotopic Mass509.19844
SMILESCC1(C)C=Cc2c(ccc3c4c(n(S(C)(=O)=O)c23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@@]2(C4)NC5=O)O1
InChIInChI=1S/C27H31N3O5S/c1-24(2)11-9-16-18(35-24)8-7-15-17-13-27-19(25(3,4)21(17)30(20(15)16)36(5,33)34)14-26(22(31)28-27)10-6-12-29(26)23(27)32/h7-9,11,19H,6,10,12-14H2,1-5H3,(H,28,31)/t19-,26-,27-/m0/s1
InChIKeyMVKPPRLSKGOBJB-DOYMOWJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2020.152219)
ChEBI Ontology
Outgoing Relation(s)
21-epi-taichunamide D (CHEBI:216683) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1S,17S,19S)-9,9,16,16-tetramethyl-14-methylsulonyl-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