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CHEBI:216643 - Scedapin C

ChEBI IDCHEBI:216643
ChEBI NameScedapin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O7S
Net Charge0
Average Mass564.620
Monoisotopic Mass564.16787
SMILESCC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H]4n5c(nc6ccccc6c5=O)C(=O)C(C)(C)[C@@]4(O)O3)[C@@H]2N1S(C)(=O)=O
InChIInChI=1S/C28H28N4O7S/c1-25(2)20(33)21-29-17-12-8-6-10-15(17)22(34)31(21)19-14-27(39-28(19,25)36)16-11-7-9-13-18(16)30-23(27)32(40(5,37)38)26(3,4)24(30)35/h6-13,19,23,36H,14H2,1-5H3/t19-,23+,27+,28+/m1/s1
InChIKeyOHMCPFVLPZTNSW-OHRJOTIESA-N
Species of MetaboliteComponentSourceComments
Scedosporium (ncbitaxon:41687) - PubMed (28837349)
ChEBI Ontology
Outgoing Relation(s)
Scedapin C (CHEBI:216643) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(3'aS,11R,13S,15R)-15-hydroxy-2',2',16,16-tetramethyl-3'-methylsulonylspiro[14-oxa-2,10-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7-tetraene-13,4'-3aH-imidazo[1,2-a]indole]-1',9,17-trione
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62285719ChemSpider