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CHEBI:219442 - Aspertryptanthrin B

ChEBI IDCHEBI:219442
ChEBI NameAspertryptanthrin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H22N4O5
Net Charge0
Average Mass482.496
Monoisotopic Mass482.15902
SMILESO=C1N[C@@H](C[C@]2(O)c3ccccc3-n3c2nc2ccccc2c3=O)C(=O)N[C@H]1Cc1ccc(O)cc1
InChIInChI=1S/C27H22N4O5/c32-16-11-9-15(10-12-16)13-20-23(33)29-21(24(34)28-20)14-27(36)18-6-2-4-8-22(18)31-25(35)17-5-1-3-7-19(17)30-26(27)31/h1-12,20-21,32,36H,13-14H2,(H,28,34)(H,29,33)/t20-,21-,27-/m0/s1
InChIKeyVPFCTRSBEVRCRU-IZVMNLJQSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.tetlet.2015.04.058)
ChEBI Ontology
Outgoing Relation(s)
Aspertryptanthrin B (CHEBI:219442) is a organic heterotetracyclic compound (CHEBI:38163)
Aspertryptanthrin B (CHEBI:219442) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(3S,6S)-3-[[(6S)-6-hydroxy-12-oxoindolo[2,1-b]quinazolin-6-yl]methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
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78441569ChemSpider