CHEBI:205195 - Fumiquinazoline B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fumiquinazoline B
ChEBI ID CHEBI:205195
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H23N5O4
Net Charge 0
Average Mass 445.479
Monoisotopic Mass 445.17500
InChI InChI=1S/C24H23N5O4/c1-12-19-27-16-9-5-3-7-14(16)22(32)28(19)18(20(30)25-12)11-24(33)15-8-4-6-10-17(15)29-21(31)13(2)26-23(24)29/h3-10,12-13,18,23,26,33H,11H2,1-2H3,(H,25,30)/t12-,13+,18-,23?,24+/m1/s1
InChIKey DQQCCKFZJNINST-SVHZQOIZSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@H](NC([C@H]2C[C@]4(O)C5=C(C=CC=C5)N6C4N[C@@H](C)C6=O)=O)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Fumiquinazoline B (CHEBI:205195) is a quinazolines (CHEBI:38530)
IUPAC Name
(1R,4R)-4-[[(2S,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
Manual Xref Database
8202106 ChemSpider
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