CHEBI:208240 - Chrysopiperazine 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 Chrysopiperazine B
ChEBI ID CHEBI:208240
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27N3O5
Net Charge 0
Average Mass 389.452
Monoisotopic Mass 389.19507
InChI InChI=1S/C20H27N3O5/c1-7-12(4)20(27-6)19-21-17-14(10-13(26-5)8-9-28-17)18(25)23(19)15(11(2)3)16(24)22-20/h8-12,15H,7H2,1-6H3,(H,22,24)/t12-,15+,20-/m0/s1
InChIKey QAGOKKIRIONYAD-VHPWJVAPSA-N
SMILES O=C1N2C(=NC3=C1C=C(OC)C=CO3)[C@](OC)(NC([C@H]2C(C)C)=O)[C@H](CC)C
Metabolite of Species Details
Penicillium chrysogenum (NCBI:txid5076) See: PubMed
ChEBI Ontology
Outgoing Chrysopiperazine B (CHEBI:208240) is a pyrimidone (CHEBI:38337)
IUPAC Name
(4S,7R)-4-[(2S)-butan-2-yl]-4,12-dimethoxy-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual Xref Database
74849486 ChemSpider
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