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CHEBI:201931 - 19,20-Epoxycytochalasin Q

ChEBI IDCHEBI:201931
ChEBI Name19,20-Epoxycytochalasin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESCC(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312
InChIInChI=1S/C30H37NO7/c1-15-10-9-13-19-24-29(5,38-24)16(2)21-20(14-18-11-7-6-8-12-18)31-27(34)30(19,21)26(36-17(3)32)22-25(37-22)28(4,35)23(15)33/h6-9,11-13,15-16,19-22,24-26,35H,10,14H2,1-5H3,(H,31,34)/b13-9+/t15-,16-,19-,20-,21-,22+,24-,25+,26+,28-,29+,30-/m0/s1
InChIKeyGSPOYKSHFNFUKI-HDSNRSDKSA-N
Species of MetaboliteComponentSourceComments
Xylaria obovata (ncbitaxon:498170) - DOI (10.1016/s0040-4020(01)85632-5)
ChEBI Ontology
Outgoing Relation(s)
19,20-Epoxycytochalasin Q (CHEBI:201931) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5R,6R,8S,10E,12R,13S,15R,16S,17R,18S)-18-benzyl-6-hydroxy-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
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23327034ChemSpider