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CHEBI:210958 - 27-epi-tryptoquivaline

ChEBI IDCHEBI:210958
ChEBI Name27-epi-tryptoquivaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N4O7
Net Charge0
Average Mass546.580
Monoisotopic Mass546.21145
SMILESCC(=O)O[C@@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12)C(C)C
InChIInChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22-,26+,29+/m1/s1
InChIKeyCYNVLFGDEQQUPE-ZLNVNOGBSA-N
Species of MetaboliteComponentSourceComments
Corynascus (ncbitaxon:72985) - DOI (10.1248/cpb.44.1843)
ChEBI Ontology
Outgoing Relation(s)
27-epi-tryptoquivaline (CHEBI:210958) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1R)-1-[3-[(3'R,3aS,4S)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
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