CHEBI:206067 - Gliocladride B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Gliocladride B
ChEBI ID CHEBI:206067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28N2O4
Net Charge 0
Average Mass 384.476
Monoisotopic Mass 384.20491
InChI InChI=1S/C22H28N2O4/c1-15(2)6-5-7-16(3)12-13-28-19-10-8-18(9-11-19)14-20-22(26)24(27)17(4)21(25)23-20/h6,8-12,14,17,27H,5,7,13H2,1-4H3,(H,23,25)/b16-12+,20-14+/t17-/m0/s1
InChIKey FMVPWWRMFNNRRJ-MSODBRDKSA-N
SMILES O=C/1N(O)[C@H](C(=O)N\C1=C\C2=CC=C(OC/C=C(/CCC=C(C)C)\C)C=C2)C
Metabolite of Species Details
Gliocladiumspecies (NCBI:txid1955101) See: PubMed
ChEBI Ontology
Outgoing Gliocladride B (CHEBI:206067) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3E,6S)-3-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methylidene]-1-hydroxy-6-methylpiperazine-2,5-dione
Manual Xref Database
27024175 ChemSpider
View more database links