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CHEBI:200315 - 10-Phenyl-[11]-cytochalasan B

ChEBI IDCHEBI:200315
ChEBI Name10-Phenyl-[11]-cytochalasan B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILESC=C1[C@@H](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/h5-8,10-12,17-18,21-22,24-25,31,33H,3,9,13-16H2,1-2,4H3,(H,29,32)/b12-8-/t17-,18+,21-,22-,24-,25+,27+,28-/m0/s1
InChIKeyNJKNOVMUCDFVLS-HATXAELTSA-N
Species of MetaboliteComponentSourceComments
Daldiniaspecies (ncbitaxon:1769485) - DOI (10.1016/0031-9422(95)00201-h)
ChEBI Ontology
Outgoing Relation(s)
10-Phenyl-[11]-cytochalasan B (CHEBI:200315) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5R,7S,9Z,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
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78436604ChemSpider