CHEBI:216639 - Scedapin 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 Scedapin B
ChEBI ID CHEBI:216639
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H24N4O5
Net Charge 0
Average Mass 472.501
Monoisotopic Mass 472.17467
InChI InChI=1S/C26H24N4O5/c1-13-21(32)29-17-11-7-5-9-15(17)25(23(29)27-13)12-18-26(34,35-25)24(2,3)19(31)20-28-16-10-6-4-8-14(16)22(33)30(18)20/h4-11,13,18,23,27,34H,12H2,1-3H3/t13-,18-,23+,25-,26+/m0/s1
InChIKey IENYPMZDZJBNMW-CPWGGQKHSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)C(=O)C(C)(C)[C@]4([C@@H]2C[C@@]5(C6=C(C=CC=C6)N7[C@H]5N[C@@H](C)C7=O)O4)O
Metabolite of Species Details
Scedosporium (NCBI:txid41687) See: PubMed
ChEBI Ontology
Outgoing Scedapin B (CHEBI:216639) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(2'S,3'aR,11S,13S,15S)-15-hydroxy-2',16,16-trimethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',9,17-trione
Manual Xref Database
62285718 ChemSpider
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