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CHEBI:205018 - 19,20-Epoxycytochalasin N

ChEBI IDCHEBI:205018
ChEBI Name19,20-Epoxycytochalasin N
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=C\C2[C@H](O)[C@]3(C)O[C@]3(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]213
InChIInChI=1S/C30H37NO8/c1-15-10-9-13-18-23(34)29(5)28(4,39-29)21-19(14-17-11-7-6-8-12-17)31-26(35)30(18,21)25(37-16(2)32)20-24(38-20)27(3,36)22(15)33/h6-9,11-13,15,18-21,23-25,34,36H,10,14H2,1-5H3,(H,31,35)/b13-9-/t15-,18?,19-,20+,21+,23-,24+,25+,27-,28+,29-,30-/m0/s1
InChIKeyRGIWEJOMKQEMPD-BMLXAOGMSA-N
Species of MetaboliteComponentSourceComments
Xylaria hypoxylon (ncbitaxon:37992) - DOI (10.1016/s0040-4020(97)00305-0)
ChEBI Ontology
Outgoing Relation(s)
19,20-Epoxycytochalasin N (CHEBI:205018) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1S,2S,3S,5R,6R,8S,10Z,13S,14S,16R,17R,18S)-18-benzyl-6,13-dihydroxy-6,8,14,16-tetramethyl-7,20-dioxo-4,15-dioxa-19-azapentacyclo[10.8.0.01,17.03,5.014,16]icos-10-en-2-yl] acetate
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78441959ChemSpider