CHEBI:220033 - Cyclo-Tryprostatin 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 Cyclo-Tryprostatin B
ChEBI ID CHEBI:220033
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O5
Net Charge 0
Average Mass 425.485
Monoisotopic Mass 425.19507
InChI InChI=1S/C23H27N3O5/c1-12(2)10-17-19-18(14-8-7-13(30-3)11-15(14)24-19)20(31-4)23(29)22(28)25-9-5-6-16(25)21(27)26(17)23/h7-8,10-11,16-17,20,24,29H,5-6,9H2,1-4H3/t16-,17-,20-,23-/m0/s1
InChIKey DARSEBUZHJPBHI-OSAZLGQLSA-N
SMILES O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](OC)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3C=C(C)C)CCC2
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) See: DOI
ChEBI Ontology
Outgoing Cyclo-Tryprostatin B (CHEBI:220033) is a β-carbolines (CHEBI:60834)
IUPAC Name
(1S,2S,12S,15S)-1-hydroxy-2,7-dimethoxy-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione
Manual Xref Database
8963827 ChemSpider
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