EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210353 - Neosartoryadin A

ChEBI IDCHEBI:210353
ChEBI NameNeosartoryadin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26N4O5
Net Charge0
Average Mass486.528
Monoisotopic Mass486.19032
SMILESCC1(C)N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2n3c(nc4ccccc4c3=O)C(=O)C(C)(C)[C@@]2(O)O1
InChIInChI=1S/C27H26N4O5/c1-24(2)19(32)20-28-16-11-7-5-9-14(16)21(33)31(20)18-13-26(36-27(18,24)35)15-10-6-8-12-17(15)30-22(26)29-25(3,4)23(30)34/h5-12,18,22,29,35H,13H2,1-4H3/t18-,22-,26+,27+/m1/s1
InChIKeyVBTGWAOZXDRMKD-XPHUSTCWSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26713369)
ChEBI Ontology
Outgoing Relation(s)
Neosartoryadin A (CHEBI:210353) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(3'aR,11R,13S,15R)-15-hydroxy-2',2',16,16-tetramethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydroimidazo[1,2-a]indole]-1',9,17-trione
Manual XrefsDatabases
58196455ChemSpider