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CHEBI:226811 - 27-epi-nortryptoquivaline

ChEBI IDCHEBI:226811
ChEBI Name27-epi-nortryptoquivaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O7
Net Charge0
Average Mass532.553
Monoisotopic Mass532.19580
SMILESCC(=O)O[C@@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)[C@H](C)N(O)[C@H]12)C(C)C
InChIInChI=1S/C28H28N4O7/c1-14(2)22(38-16(4)33)23-29-19-11-7-5-9-17(19)25(35)30(23)21-13-28(39-26(21)36)18-10-6-8-12-20(18)31-24(34)15(3)32(37)27(28)31/h5-12,14-15,21-22,27,37H,13H2,1-4H3/t15-,21+,22+,27-,28-/m0/s1
InChIKeyHHNRKSWQUGTUBV-CQYCJXFMSA-N
Species of MetaboliteComponentSourceComments
Corynascus (ncbitaxon:72985) - DOI (10.1248/cpb.44.1843)
ChEBI Ontology
Outgoing Relation(s)
27-epi-nortryptoquivaline (CHEBI:226811) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1R)-1-[3-[(2S,3'R,3aS,4S)-3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
Manual XrefsDatabases
9975063ChemSpider