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CHEBI:211174 - Notoamide W

ChEBI IDCHEBI:211174
ChEBI NameNotoamide W
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESCOc1cc2c3c(nc2c2c1OC(C)(C)C=C2)C(C)(C)[C@@H]1C[C@]24CCCN2C(=O)[C@]1(NC4=O)[C@@H]3O
InChIInChI=1S/C27H31N3O5/c1-24(2)9-7-13-18-14(11-15(34-5)19(13)35-24)17-20(28-18)25(3,4)16-12-26-8-6-10-30(26)23(33)27(16,21(17)31)29-22(26)32/h7,9,11,16,21,28,31H,6,8,10,12H2,1-5H3,(H,29,32)/t16-,21+,26-,27+/m0/s1
InChIKeyCPBPAONORNYCRQ-YOUBCVCJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - DOI (10.1039/c9ra03640g)
ChEBI Ontology
Outgoing Relation(s)
Notoamide W (CHEBI:211174) is a pyrroloquinoline (CHEBI:50918)
IUPAC Name 
(1R,2R,17S,19S)-2-hydroxy-6-methoxy-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),4,6,10,12-pentaene-24,26-dione
Manual XrefsDatabases
78315801ChemSpider