EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221265 - Fumiquinazoline M

ChEBI IDCHEBI:221265
ChEBI NameFumiquinazoline M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H35N5O9
Net Charge0
Average Mass705.724
Monoisotopic Mass705.24348
SMILESCc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)O[C@@H]2C=C1NC(=O)[C@@H](C[C@@]2(O)c3ccccc3N3C(=O)C4(CC4)N[C@@H]32)n2c1nc1ccccc1c2=O
InChIInChI=1S/C38H35N5O9/c1-16-18(3)52-25(27-26(16)17(2)29(44)28(30(27)45)34(48)49)14-22-31-39-21-10-6-4-8-19(21)33(47)42(31)24(32(46)40-22)15-38(51)20-9-5-7-11-23(20)43-35(38)41-37(12-13-37)36(43)50/h4-11,14,16,18,24-25,35,41,44-45,51H,12-13,15H2,1-3H3,(H,40,46)(H,48,49)/t16-,18-,24-,25-,35+,38-/m1/s1
InChIKeyHPHYQZNMDQIWSH-LCRFBBLKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1002/ejoc.201201220)
ChEBI Ontology
Outgoing Relation(s)
Fumiquinazoline M (CHEBI:221265) is a quinazolines (CHEBI:38530)
IUPAC Name 
(1R,3R,4S)-1-[[(4R)-4-[[(3aS,4R)-4-hydroxy-1-oxospiro[3,3a-dihydroimidazo[1,2-a]indole-2,1'-cyclopropane]-4-yl]methyl]-3,6-dioxo-4H-pyrazino[2,1-b]quinazolin-1-ylidene]methyl]-6,8-dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Manual XrefsDatabases
78440412ChemSpider