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CHEBI:208429 - Penochalasin Gs

ChEBI IDCHEBI:208429
ChEBI NamePenochalasin Gs
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O4
Net Charge0
Average Mass514.666
Monoisotopic Mass514.28316
SMILESCC1=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C(=O)CCC(=O)[C@@]23C(=O)NC(Cc2cnc4ccccc24)[C@@H]3[C@@H]1C
InChIInChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-11,14-15,17-18,21,23,26,29-30,33,37H,8,12-13,16H2,1-4H3,(H,34,38)/b9-7-,20-14-/t18-,21+,23-,26?,29-,30+,32-/m0/s1
InChIKeyTYTBBVIHCPHNMB-XPEOHYIXSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/s0040-4020(01)00153-3)
ChEBI Ontology
Outgoing Relation(s)
Penochalasin Gs (CHEBI:208429) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,6R,7Z,9S,11Z,13S,16S,17R)-6-hydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11,14-triene-2,5,20-trione
Manual XrefsDatabases
78438448ChemSpider