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CHEBI:210273 - Longichalasin B

ChEBI IDCHEBI:210273
ChEBI NameLongichalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO4
Net Charge0
Average Mass475.629
Monoisotopic Mass475.27226
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)C=CC(C)=C[C@@H](C)CC=C[C@H]3[C@@H]1O
InChIInChI=1S/C30H37NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-16,18,20,24-28,33H,4,10,17H2,1-3,5H3,(H,31,34)/t18-,20+,24-,25-,26+,27-,28+,30+/m0/s1
InChIKeyGGQJVEJLGIJFPD-NUPIXCJZSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (32717916)
ChEBI Ontology
Outgoing Relation(s)
Longichalasin B (CHEBI:210273) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2R,7S,11R,12S,14S,15R,16S)-16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,5,9-trien-2-yl] acetate