CHEBI:206478 - Cyclo-Tryprostatin D

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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 Cyclo-Tryprostatin D
ChEBI ID CHEBI:206478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H21N3O4
Net Charge 0
Average Mass 379.416
Monoisotopic Mass 379.15321
InChI InChI=1S/C21H21N3O4/c1-11(2)10-15-17-16(12-6-3-4-7-13(12)22-17)18(25)21(28)20(27)23-9-5-8-14(23)19(26)24(15)21/h3-4,6-7,10,14-15,22,28H,5,8-9H2,1-2H3/t14-,15-,21+/m0/s1
InChIKey PRHXKXPDGLCPPT-VFCRVFHLSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@@]1(O)C(=O)C=4C5=C(C=CC=C5)NC4[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Cyclo-Tryprostatin D (CHEBI:206478) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1R,12S,15S)-1-hydroxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-2,14,20-trione
Manual Xref Database
8723127 ChemSpider
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