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CHEBI:215555 - Notoamide U

ChEBI IDCHEBI:215555
ChEBI NameNotoamide U
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O5
Net Charge0
Average Mass463.534
Monoisotopic Mass463.21072
SMILESCC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@H]4CC56CCCN5C(=O)C4(C[C@@]23O)NC6=O)O1
InChIInChI=1S/C26H29N3O5/c1-22(2)10-8-14-16(34-22)7-6-15-18(14)29(33)19-23(3,4)17-12-24-9-5-11-28(24)21(31)25(17,27-20(24)30)13-26(15,19)32/h6-8,10,17,32H,5,9,11-13H2,1-4H3,(H,27,30)/t17-,24?,25?,26+/m1/s1
InChIKeyQCZUWKYBDIHUEP-MRGNAFSRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus taichungensis (ncbitaxon:482145) - PubMed (23550798)
ChEBI Ontology
Outgoing Relation(s)
Notoamide U (CHEBI:215555) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,17R)-3-hydroxy-9,9,16,16-tetramethyl-14-oxido-8-oxa-23,25-diaza-14-azoniaheptacyclo[17.5.2.01,17.03,15.04,13.07,12.019,23]hexacosa-4(13),5,7(12),10,14-pentaene-24,26-dione
Manual XrefsDatabases
78439391ChemSpider