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CHEBI:204685 - Cytochalasin R1

ChEBI IDCHEBI:204685
ChEBI NameCytochalasin R1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H41NO6
Net Charge0
Average Mass511.659
Monoisotopic Mass511.29339
SMILESCC(=O)O[C@@H]1/C=C/[C@](C)(O)C[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@](C)(O)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312
InChIInChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29+,30+/m0/s1
InChIKeyAVASIWUXPVFFGK-UPDPWUGUSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1007/s10600-013-0710-1)
ChEBI Ontology
Outgoing Relation(s)
Cytochalasin R1 (CHEBI:204685) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2R,3E,5R,7S,9E,11R,12S,13R,14S,15R,16S)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Manual XrefsDatabases
78441008ChemSpider