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CHEBI:216653 - Scedapin D

ChEBI IDCHEBI:216653
ChEBI NameScedapin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26N4O5
Net Charge0
Average Mass486.528
Monoisotopic Mass486.19032
SMILESCC1(C)N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2n3c(nc4ccccc4c3=O)C(=O)C(C)(C)[C@]2(O)O1
InChIInChI=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
InChIKeyVBTGWAOZXDRMKD-ICTPLHBVSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
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
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