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CHEBI:226102 - Neosartoryadin B

ChEBI IDCHEBI:226102
ChEBI NameNeosartoryadin B
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SubmitterMetaboLights
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FormulaC27H26N4O6
Net Charge0
Average Mass502.527
Monoisotopic Mass502.18523
SMILESCC1(C)C(=O)N2c3ccccc3[C@@]3(C[C@H]4n5c(nc6ccccc6c5=O)C(=O)C(C)(C)[C@@]4(O)O3)[C@@H]2N1O
InChIInChI=1S/C27H26N4O6/c1-24(2)19(32)20-28-16-11-7-5-9-14(16)21(33)30(20)18-13-26(37-27(18,24)35)15-10-6-8-12-17(15)29-22(26)31(36)25(3,4)23(29)34/h5-12,18,22,35-36H,13H2,1-4H3/t18-,22+,26+,27+/m1/s1
InChIKeyCXXVVFPRXIOKFZ-DLAYMKIGSA-N
Species of MetaboliteComponentSourceComments
Neosartorya (ncbitaxon:36629) - PubMed (26713369)
ChEBI Ontology
Outgoing Relation(s)
Neosartoryadin B (CHEBI:226102) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(3'aS,11R,13S,15R)-3',15-dihydroxy-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'-3aH-imidazo[1,2-a]indole]-1',9,17-trione
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58196456ChemSpider