CHEBI:210989 - Pyranamide 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 Pyranamide B
ChEBI ID CHEBI:210989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31N3O6
Net Charge 0
Average Mass 457.527
Monoisotopic Mass 457.22129
InChI InChI=1S/C24H31N3O6/c1-5-14(2)19-20-26-22(29)24(13-16(31-3)12-18(32-4)33-24)23(30)27(20)17(21(28)25-19)11-15-9-7-6-8-10-15/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,25,28)(H,26,29)/t14-,16-,17+,18+,24+/m0/s1
InChIKey CICAMELMHNOFPY-DTPBCAQXSA-N
SMILES O=C1N2C(NC([C@@]13O[C@@H](OC)C[C@@H](C3)OC)=O)=C(NC([C@H]2CC4=CC=CC=C4)=O)[C@H](CC)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Pyranamide B (CHEBI:210989) is a pyrimidone (CHEBI:38337)
IUPAC Name
(3R,4'R,6R,6'R)-6-benzyl-9-[(2S)-butan-2-yl]-4',6'-dimethoxyspiro[6,8-dihydro-1H-pyrazino[1,2-a]pyrimidine-3,2'-oxane]-2,4,7-trione
Manual Xref Database
71360607 ChemSpider
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