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CHEBI:208116 - (11)-Cytochalasa-6,13,19-triene-1,21-dione-12,18-dihydroxy-16,18-dimethyl-lO-phenyl-(6E,13E,16S*,18S*,19E)

ChEBI IDCHEBI:208116
ChEBI Name(11)-Cytochalasa-6,13,19-triene-1,21-dione-12,18-dihydroxy-16,18-dimethyl-lO-phenyl-(6E,13E,16S*,18S*,19E)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO4
Net Charge0
Average Mass449.591
Monoisotopic Mass449.25661
SMILESC[C@@H]1C/C=C/[C@@H]2C=C(CO)[C@H](C)[C@@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32C(=O)/C=C/[C@](C)(O)C1
InChIInChI=1S/C28H35NO4/c1-18-8-7-11-22-15-21(17-30)19(2)25-23(14-20-9-5-4-6-10-20)29-26(32)28(22,25)24(31)12-13-27(3,33)16-18/h4-7,9-13,15,18-19,22-23,25,30,33H,8,14,16-17H2,1-3H3,(H,29,32)/b11-7+,13-12+/t18-,19+,22-,23-,25-,27+,28+/m1/s1
InChIKeyHLOJXNHEDIFCCU-UXRAHEPPSA-N
Species of MetaboliteComponentSourceComments
Daldiniaspecies (ncbitaxon:1769485) - DOI (10.1016/0031-9422(95)00644-3)
ChEBI Ontology
Outgoing Relation(s)
(11)-Cytochalasa-6,13,19-triene-1,21-dione-12,18-dihydroxy-16,18-dimethyl-lO-phenyl-(6E,13E,16S*,18S*,19E) (CHEBI:208116) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,3E,5R,7R,9E,11R,14R,15S,16R)-16-benzyl-5-hydroxy-13-(hydroxymethyl)-5,7,14-trimethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-2,18-dione
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78438440ChemSpider