CHEBI:200920 - Lapatin 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 Lapatin B
ChEBI ID CHEBI:200920
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H14N4O3
Net Charge 0
Average Mass 358.357
Monoisotopic Mass 358.10659
InChI InChI=1S/C20H14N4O3/c25-17-14-9-20(11-6-2-4-8-13(11)22-19(20)27)15(23-17)16-21-12-7-3-1-5-10(12)18(26)24(14)16/h1-8,14-15H,9H2,(H,22,27)(H,23,25)/t14-,15+,20?/m0/s1
InChIKey RSCQCCZWYNEMPN-VKWYCSODSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@H]4NC([C@@H]2CC45C(=O)NC6=C5C=CC=C6)=O
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Lapatin B (CHEBI:200920) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(1'S,12'S)-spiro[1H-indole-3,16'-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-2,3',14'-trione
Manual Xref Database
78440092 ChemSpider
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