EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209331 - Periconiasin H

ChEBI IDCHEBI:209331
ChEBI NamePericoniasin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO6S
Net Charge0
Average Mass507.693
Monoisotopic Mass507.26546
SMILESCCOC(=O)C(O)CS(=O)[C@H]1C/C=C(/C)C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)C1
InChIInChI=1S/C27H41NO6S/c1-7-34-25(31)22(29)14-35(33)20-9-8-16(4)11-19-12-17(5)18(6)24-21(10-15(2)3)28-26(32)27(19,24)23(30)13-20/h8,12,15,18-22,24,29H,7,9-11,13-14H2,1-6H3,(H,28,32)/b16-8-/t18-,19+,20+,21+,22?,24+,27-,35?/m1/s1
InChIKeyCRAYRUMRHRZANN-PEAKJELWSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - DOI (10.1016/j.tetlet.2016.01.030)
ChEBI Ontology
Outgoing Relation(s)
Periconiasin H (CHEBI:209331) is a isoindoles (CHEBI:24897)
IUPAC Name 
ethyl 2-hydroxy-3-[[(1S,4S,5R,6S,9S,11Z,14S)-6,7,11-trimethyl-4-(2-methylpropyl)-2,16-dioxo-3-azatricyclo[7.7.0.01,5]hexadeca-7,11-dien-14-yl]sulinyl]propanoate
Manual XrefsDatabases
78437388ChemSpider