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CHEBI:220601 - [11]-cytochalasa-5(6),13-diene-1,21-dione-7,18-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18R*)

ChEBI IDCHEBI:220601
ChEBI Name[11]-cytochalasa-5(6),13-diene-1,21-dione-7,18-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18R*)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILESCC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)CC[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C28H37NO4/c1-17-9-8-12-21-25(31)19(3)18(2)24-22(15-20-10-6-5-7-11-20)29-26(32)28(21,24)23(30)13-14-27(4,33)16-17/h5-8,10-12,17,21-22,24-25,31,33H,9,13-16H2,1-4H3,(H,29,32)/b12-8+/t17-,21-,22-,24-,25+,27+,28+/m0/s1
InChIKeyVAPNGKRQVGNHMS-QBUMTXCVSA-N
Species of MetaboliteComponentSourceComments
Daldinia (ncbitaxon:42360) - PubMed (28658974)
ChEBI Ontology
Outgoing Relation(s)
[11]-cytochalasa-5(6),13-diene-1,21-dione-7,18-dihydroxy-16,18-dimethyl-10-phenyl-(7S*,13E,16S*,18R*) (CHEBI:220601) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,5R,7S,9E,11R,12S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,18-dione
Manual XrefsDatabases
64063736ChemSpider