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CHEBI:199018 - VM55596

ChEBI IDCHEBI:199018
ChEBI NameVM55596
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SubmitterMetaboLights
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FormulaC28H35N3O6
Net Charge0
Average Mass509.603
Monoisotopic Mass509.25259
SMILESCN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41C[N+]2([O-])CC[C@@]3(C)O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2
InChIInChI=1S/C28H35N3O6/c1-23(2)10-12-36-20-17(37-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31(35)11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-,31?/m0/s1
InChIKeyIFVZXHLMGGKUOX-APYVQCPJSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsis gilva YIM 90087 (ncbitaxon:1235441) - PubMed (8226314)
ChEBI Ontology
Outgoing Relation(s)
VM55596 (CHEBI:199018) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,6'R,7'R,8R,9'S)-6'-hydroxy-4,4,6',10',10',13'-hexamethyl-3'-oxidospiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-13-aza-3-azoniatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
Manual XrefsDatabases
31110638ChemSpider