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CHEBI:216627 - Scedapin A

ChEBI IDCHEBI:216627
ChEBI NameScedapin A
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SubmitterMetaboLights
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FormulaC26H24N4O5
Net Charge0
Average Mass472.501
Monoisotopic Mass472.17467
SMILESC[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@H]2n3c(nc4ccccc4c3=O)C(=O)C(C)(C)[C@@]2(O)O1
InChIInChI=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
InChIKeyIENYPMZDZJBNMW-BZIWHETJSA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scedapin A (CHEBI:216627) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(2'S,3'aR,11R,13S,15R)-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
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62285717ChemSpider