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CHEBI:222459 - Xylobovatin

ChEBI IDCHEBI:222459
ChEBI NameXylobovatin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO6
Net Charge0
Average Mass507.627
Monoisotopic Mass507.26209
SMILESCC(=O)O[C@@H]1[C@@H]2OC2[C@H](C)C(=O)[C@@H](C)C/C=C\[C@H]2[C@@H]3O[C@]3(C)C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]132
InChIInChI=1S/C30H37NO6/c1-15-10-9-13-20-26-29(5,37-26)17(3)22-21(14-19-11-7-6-8-12-19)31-28(34)30(20,22)27(35-18(4)32)25-24(36-25)16(2)23(15)33/h6-9,11-13,15-17,20-22,24-27H,10,14H2,1-5H3,(H,31,34)/b13-9-/t15-,16+,17?,20-,21-,22+,24?,25+,26-,27+,29+,30-/m0/s1
InChIKeyZVDZUUFSGNTNLH-YURNYXGGSA-N
Species of MetaboliteComponentSourceComments
Xylaria obovata (ncbitaxon:498170) - DOI (10.1016/s0031-9422(96)00780-7)
ChEBI Ontology
Outgoing Relation(s)
Xylobovatin (CHEBI:222459) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3R,6S,8S,10Z,12R,13S,15R,17S,18S)-18-benzyl-6,8,15,16-tetramethyl-7,20-dioxo-4,14-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.013,15]icos-10-en-2-yl] acetate
Manual XrefsDatabases
78438241ChemSpider