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CHEBI:197678 - 21-O-Deacetylcytochalasin Q

ChEBI IDCHEBI:197678
ChEBI Name21-O-Deacetylcytochalasin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESC[C@H]1C/C=C\[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)C32[C@H](O)/C=C\[C@@](C)(O)C1=O
InChIInChI=1S/C28H35NO5/c1-16-9-8-12-19-24-27(4,34-24)17(2)22-20(15-18-10-6-5-7-11-18)29-25(32)28(19,22)21(30)13-14-26(3,33)23(16)31/h5-8,10-14,16-17,19-22,24,30,33H,9,15H2,1-4H3,(H,29,32)/b12-8-,14-13-/t16-,17-,19-,20-,21+,22-,24-,26+,27+,28?/m0/s1
InChIKeyRERIIFVZOREWKX-DMYKZJMJSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - DOI (10.1002/hlca.201100051)
ChEBI Ontology
Outgoing Relation(s)
21-O-Deacetylcytochalasin Q (CHEBI:197678) is a isoindoles (CHEBI:24897)
IUPAC Name 
(2R,3Z,5R,7S,9Z,11R,12S,14R,15S,16R,17S)-17-benzyl-2,5-dihydroxy-5,7,14,15-tetramethyl-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadeca-3,9-diene-6,19-dione
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78436255ChemSpider