CHEBI:219442 - Aspertryptanthrin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aspertryptanthrin B
ChEBI ID CHEBI:219442
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C27H22N4O5
Net Charge 0
Average Mass 482.496
Monoisotopic Mass 482.15902
InChI InChI=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
InChIKey VPFCTRSBEVRCRU-IZVMNLJQSA-N
SMILES O=C1N2C3=C(C=CC=C3)[C@@](C2=NC4=C1C=CC=C4)(O)C[C@@H]5NC(=O)[C@H](CC6=CC=C(O)C=C6)NC5=O
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78441569 ChemSpider
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