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CHEBI:219449 - Aspertryptanthrin C

ChEBI IDCHEBI:219449
ChEBI NameAspertryptanthrin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22N4O6
Net Charge0
Average Mass498.495
Monoisotopic Mass498.15393
SMILESO=C1N[C@@H]2C[C@]3(O)c4cc(O)ccc4N4C(=O)c5cccc(c5N[C@@H]43)Oc3ccc(cc3)C[C@H]1NC2=O
InChIInChI=1S/C27H22N4O6/c32-14-6-9-20-17(11-14)27(36)12-19-24(34)28-18(23(33)29-19)10-13-4-7-15(8-5-13)37-21-3-1-2-16-22(21)30-26(27)31(20)25(16)35/h1-9,11,18-19,26,30,32,36H,10,12H2,(H,28,34)(H,29,33)/t18-,19-,26+,27+/m1/s1
InChIKeyRWPVIQPHTUJTGF-QCOILQKOSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2015.04.058)
ChEBI Ontology
Outgoing Relation(s)
Aspertryptanthrin C (CHEBI:219449) is a azamacrocycle (CHEBI:52898)
Aspertryptanthrin C (CHEBI:219449) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(1R,3S,11S,25R)-3,6-dihydroxy-19-oxa-10,12,26,28-tetrazaheptacyclo[23.2.2.220,23.110,14.03,11.04,9.013,18]dotriaconta-4(9),5,7,13,15,17,20,22,30-nonaene-27,29,32-trione
Manual XrefsDatabases
78441570ChemSpider