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CHEBI:227024 - Tryptoquivaline T

ChEBI IDCHEBI:227024
ChEBI NameTryptoquivaline T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20N4O5
Net Charge0
Average Mass444.447
Monoisotopic Mass444.14337
SMILESCC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@@H](n4cnc5ccccc5c4=O)C(=O)O3)[C@@H]2N1C=O
InChIInChI=1S/C24H20N4O5/c1-23(2)22(32)28-17-10-6-4-8-15(17)24(21(28)27(23)13-29)11-18(20(31)33-24)26-12-25-16-9-5-3-7-14(16)19(26)30/h3-10,12-13,18,21H,11H2,1-2H3/t18-,21-,24+/m1/s1
InChIKeyNDAPJMCCKGMAHX-JLGINSKQSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (24477284)
ChEBI Ontology
Outgoing Relation(s)
Tryptoquivaline T (CHEBI:227024) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3aR,4S,4'R)-2,2-dimethyl-1,5'-dioxo-4'-(4-oxoquinazolin-3-yl)spiro[3aH-imidazo[1,2-a]indole-4,2'-oxolane]-3-carbaldehyde
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32674762ChemSpider