CHEBI:198132 - Brasilamide D

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 Brasilamide D
ChEBI ID CHEBI:198132
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H25NO5
Net Charge 0
Average Mass 335.400
Monoisotopic Mass 335.17327
InChI InChI=1S/C18H25NO5/c1-10(16(19)22)4-14(21)7-17-8-24-18(9-23-12(3)20)6-13(17)5-15(17)11(18)2/h4,11,13,15H,5-9H2,1-3H3,(H2,19,22)/b10-4+/t11-,13?,15?,17?,18?/m0/s1
InChIKey VVLXSLOJVMLHRZ-USSSUSHGSA-N
SMILES O=C(N)/C(=C/C(=O)CC12C3[C@@H](C(COC(=O)C)(CC1C3)OC2)C)/C
Metabolite of Species Details
Paraconiothyrium brasiliense (NCBI:txid300254) See: DOI
ChEBI Ontology
Outgoing Brasilamide D (CHEBI:198132) is a monoterpenoid (CHEBI:25409)
IUPAC Name
[(6S)-2-[(E)-5-amino-4-methyl-2,5-dioxopent-3-enyl]-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-5-yl]methyl acetate
Manual Xref Database
78445016 ChemSpider
View more database links