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CHEBI:206615 - 11-hydroxyaerothionin

ChEBI IDCHEBI:206615
ChEBI Name11-hydroxyaerothionin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26Br4N4O9
Net Charge0
Average Mass834.107
Monoisotopic Mass829.84333
SMILESCOC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCC(O)CNC(=O)C1=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C1)=NO2
InChIInChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t10?,19-,20-,23+,24+/m0/s1
InChIKeyAROOVIRXACQMLA-PAJOYRTFSA-N
Species of MetaboliteComponentSourceComments
Pseudovibrio (ncbitaxon:258255) - PubMed (28191971)
ChEBI Ontology
Outgoing Relation(s)
11-hydroxyaerothionin (CHEBI:206615) is a isoxazoles (CHEBI:55373)
IUPAC Name 
(5S,6R)-7,9-dibromo-N-[4-[[(5S,6R)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]-3-hydroxybutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Manual XrefsDatabases
409958ChemSpider