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CHEBI:225906 - Scetryptoquivaline A

ChEBI IDCHEBI:225906
ChEBI NameScetryptoquivaline A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22N4O6S
Net Charge0
Average Mass494.529
Monoisotopic Mass494.12601
SMILESCC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1S(C)(=O)=O
InChIInChI=1S/C24H22N4O6S/c1-23(2)22(31)27-17-11-7-5-9-15(17)24(21(27)28(23)35(3,32)33)12-18(20(30)34-24)26-13-25-16-10-6-4-8-14(16)19(26)29/h4-11,13,18,21H,12H2,1-3H3/t18-,21-,24-/m0/s1
InChIKeyUDWLGBFJPVZDGR-XZOYJPPVSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (32130008)
ChEBI Ontology
Outgoing Relation(s)
Scetryptoquivaline A (CHEBI:225906) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3'S,3aS,4S)-2,2-dimethyl-3-methylsulonyl-3'-(4-oxoquinazolin-3-yl)spiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
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83986151ChemSpider