Fiscalin B (CHEBI:221976)

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CHEBI:221976 - Fiscalin B

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ChEBI ID	CHEBI:221976
ChEBI Name	Fiscalin B
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Submitter	MetaboLights
Downloads	Molfile

Formula	C23H22N4O2
Net Charge	0
Average Mass	386.455
Monoisotopic Mass	386.17428
SMILES	CC(C)[C@@H]1NC(=O)[C@@H](Cc2cnc3ccccc23)n2c1nc1ccccc1c2=O
InChI	InChI=1S/C23H22N4O2/c1-13(2)20-21-25-18-10-6-4-8-16(18)23(29)27(21)19(22(28)26-20)11-14-12-24-17-9-5-3-7-15(14)17/h3-10,12-13,19-20,24H,11H2,1-2H3,(H,26,28)/t19-,20+/m1/s1
InChIKey	DNPSVQYQTPYSPH-UXHICEINSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus fischeri (ncbitaxon:36630)	-	PubMed (7684734)

ChEBI Ontology

Outgoing Relation(s)
	Fiscalin B (CHEBI:221976) is a quinazolines (CHEBI:38530)

IUPAC Name
(1S,4R)-4-(1H-indol-3-ylmethyl)-1-propan-2-yl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Manual Xrefs	Databases
8267085	ChemSpider