CHEBI:216653 - Scedapin 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 Scedapin D
ChEBI ID CHEBI:216653
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H26N4O5
Net Charge 0
Average Mass 486.528
Monoisotopic Mass 486.19032
InChI InChI=1S/C27H26N4O5/c1-24(2)19(32)20-28-16-11-7-5-9-14(16)21(33)31(20)18-13-26(36-27(18,24)35)15-10-6-8-12-17(15)30-22(26)29-25(3,4)23(30)34/h5-12,18,22,29,35H,13H2,1-4H3/t18-,22+,26-,27+/m0/s1
InChIKey VBTGWAOZXDRMKD-ICTPLHBVSA-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]5NC(C)(C)C7=O)O4)O
Metabolite of Species Details
Scedosporium (NCBI:txid41687) See: PubMed
ChEBI Ontology
Outgoing Scedapin D (CHEBI:216653) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(3'aR,11S,13S,15S)-15-hydroxy-2',2',16,16-tetramethylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3,3a-dihydroimidazo[1,2-a]indole]-1',9,17-trione
Manual Xref Database
62285720 ChemSpider
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