EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184049 - Fumiquinazoline h

ChEBI IDCHEBI:184049
ChEBI NameFumiquinazoline h
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H27N5O4
Net Charge0
Average Mass485.544
Monoisotopic Mass485.20630
SMILES[H][C@@]12C[C@@]3(O[C@@](C)(NC1=O)c1nc4ccccc4c(=O)n12)c1ccccc1N1C(=O)[C@H](CC(C)C)NC13
InChIInChI=1S/C27H27N5O4/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(3,36-27)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20+,25?,26+,27+/m0/s1
InChIKeySJNRYASCJOVKHZ-MBLBISRUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Acremonium (ncbitaxon:159075) - DOI (10.1002/(sici)1521-3765(20000417)6:8<1355::aid-chem1355>3.3.co;2-j)
ChEBI Ontology
Outgoing Relation(s)
Fumiquinazoline h (CHEBI:184049) is a quinazolines (CHEBI:38530)
IUPAC Names 
(1R,2'S,12R,14R)-12-methyl-2'-(2-methylpropyl)spiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
(1R,2'S,3'aR,12S,14R)-12-methyl-2'-(2-methylpropyl)spiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
Manual XrefsDatabases
8430289ChemSpider