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CHEBI:200362 - 19,20-Epoxycytochalasin R

ChEBI IDCHEBI:200362
ChEBI Name19,20-Epoxycytochalasin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO8
Net Charge0
Average Mass539.625
Monoisotopic Mass539.25192
SMILESCC(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)C[C@@H]2OC2C2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]231
InChIInChI=1S/C30H37NO8/c1-13-11-18-21(37-18)20-24-29(5,39-24)14(2)19-17(12-16-9-7-6-8-10-16)31-27(34)30(19,20)26(36-15(3)32)22-25(38-22)28(4,35)23(13)33/h6-10,13-14,17-22,24-26,35H,11-12H2,1-5H3,(H,31,34)/t13-,14-,17-,18-,19-,20?,21?,22+,24-,25+,26+,28-,29+,30+/m0/s1
InChIKeyDMPLSVXMELJNKE-GMXKIONFSA-N
Species of MetaboliteComponentSourceComments
Xylaria hypoxylon (ncbitaxon:37992) - DOI (10.1016/s0040-4020(97)00305-0)
ChEBI Ontology
Outgoing Relation(s)
19,20-Epoxycytochalasin R (CHEBI:200362) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5R,6R,8S,10S,14S,16R,17S,18R,19S)-19-benzyl-6-hydroxy-6,8,16,17-tetramethyl-7,21-dioxo-4,11,15-trioxa-20-azahexacyclo[11.8.0.01,18.03,5.010,12.014,16]henicosan-2-yl] acetate
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78441957ChemSpider