EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211814 - Neoansamycin B

ChEBI IDCHEBI:211814
ChEBI NameNeoansamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO6
Net Charge0
Average Mass507.627
Monoisotopic Mass507.26209
SMILESCCCCC[C@@H]1C(=O)N[C@@]23C[C@@]45O/C(=C(/CC)CCC[C@H](OC)C(=O)[C@@]4(C)[C@@H]12)c1c(O)ccc(c15)C3=O
InChIInChI=1S/C30H37NO6/c1-5-7-8-11-18-24-28(3)26(34)20(36-4)12-9-10-16(6-2)23-21-19(32)14-13-17-22(21)30(28,37-23)15-29(24,25(17)33)31-27(18)35/h13-14,18,20,24,32H,5-12,15H2,1-4H3,(H,31,35)/b23-16-/t18-,20-,24+,28+,29-,30-/m0/s1
InChIKeyTVLUPXCVJZZKDZ-RENLGDBXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies LZ35 (ncbitaxon:1245024) - PubMed (26167742)
ChEBI Ontology
Outgoing Relation(s)
Neoansamycin B (CHEBI:211814) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,3Z,8S,10S,11R,12S,15S)-4-ethyl-20-hydroxy-8-methoxy-10-methyl-12-pentyl-2-oxa-14-azahexacyclo[13.7.1.01,10.03,21.011,15.017,22]tricosa-3,17(22),18,20-tetraene-9,13,16-trione
Manual XrefsDatabases
78443576ChemSpider