CHEBI:201991 - Pseudonocardian 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 Pseudonocardian B
ChEBI ID CHEBI:201991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H20N2O5
Net Charge 0
Average Mass 356.378
Monoisotopic Mass 356.13722
InChI InChI=1S/C19H20N2O5/c1-5-18(25)8-19(26)16-13(9(2)6-11(22)20(16)4)15(24)14-10(3)7-12(23)21(18)17(14)19/h6-7,25-26H,5,8H2,1-4H3/t18-,19+/m0/s1
InChIKey WVPWAWQSZCUQGO-RBUKOAKNSA-N
SMILES O=C1C2=C(N(C(=O)C=C2C)C)[C@]3(O)C[C@@](N4C3=C1C(=CC4=O)C)(O)CC
Metabolite of Species Details
Pseudonocardia antitumoralis (NCBI:txid1070982) See: PubMed
ChEBI Ontology
Outgoing Pseudonocardian B (CHEBI:201991) is a indoles (CHEBI:24828)
IUPAC Name
(1R,14S)-14-ethyl-1,14-dihydroxy-3,6,10-trimethyl-3,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),5,9(16),10-tetraene-4,8,12-trione
Manual Xref Database
27025686 ChemSpider
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