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CHEBI:189368 - (11)-Cytochalasa-6(12),13-diene-1,21-dione-7,9-dihydroxy-16,18-dimethyl-lO-phenyl-(7S*,13E,16S*,18R*,19R*)

ChEBI IDCHEBI:189368
ChEBI Name(11)-Cytochalasa-6(12),13-diene-1,21-dione-7,9-dihydroxy-16,18-dimethyl-lO-phenyl-(7S*,13E,16S*,18R*,19R*)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILES[H][C@@]12[C@@H](Cc3ccccc3)NC(=O)[C@@]13C(=O)C[C@H](O)[C@@H](C)C[C@H](C)C/C=C/[C@]3([H])[C@@H](O)C(=C)[C@@H]2C
InChIInChI=1S/C28H37NO4/c1-16-9-8-12-21-26(32)19(4)18(3)25-22(14-20-10-6-5-7-11-20)29-27(33)28(21,25)24(31)15-23(30)17(2)13-16/h5-8,10-12,16-18,21-23,25-26,30,32H,4,9,13-15H2,1-3H3,(H,29,33)/b12-8+/t16-,17+,18+,21-,22-,23+,25-,26+,28+/m1/s1
InChIKeyPKVSDBKCEFZRDL-YBMVXGEQSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
(11)-Cytochalasa-6(12),13-diene-1,21-dione-7,9-dihydroxy-16,18-dimethyl-lO-phenyl-(7S*,13E,16S*,18R*,19R*) (CHEBI:189368) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,4S,5S,7R,9E,11S,12R,14R,15S,16R)-16-benzyl-4,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
Manual XrefsDatabases
78436447ChemSpider