EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218126 - Diaporthichalasin

ChEBI IDCHEBI:218126
ChEBI NameDiaporthichalasin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO4
Net Charge0
Average Mass503.683
Monoisotopic Mass503.30356
SMILESCC1=C[C@@]2(C)[C@H]3C(C)=C[C@@]4(C)C[C@@H](C)CC[C@@H]4[C@H]3C(=O)[C@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@H]1C
InChIInChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20-,23+,24+,25-,26-,29+,30-,31+,32+/m0/s1
InChIKeyAEKBQYOSHUYACR-LSRUSGMUSA-N
Species of MetaboliteComponentSourceComments
Diaporthespecies (ncbitaxon:1756133) - DOI (10.1016/j.tetlet.2006.11.102)
ChEBI Ontology
Outgoing Relation(s)
Diaporthichalasin (CHEBI:218126) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,5R,6R,7R,10R,12R,13R,16S,18S)-7-hydroxy-7-[(4-hydroxyphenyl)methyl]-2,4,5,16,18,20-hexamethyl-8-azapentacyclo[10.8.0.02,10.06,10.013,18]icosa-3,19-diene-9,11-dione
Manual XrefsDatabases
17264319ChemSpider