CHEBI:226102 - Neosartoryadin B

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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 Neosartoryadin B
ChEBI ID CHEBI:226102
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H26N4O6
Net Charge 0
Average Mass 502.527
Monoisotopic Mass 502.18523
InChI InChI=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
InChIKey CXXVVFPRXIOKFZ-DLAYMKIGSA-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]5N(O)C(C)(C)C7=O)O4)O
Metabolite of Species Details
Neosartorya (NCBI:txid36629) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
58196456 ChemSpider
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