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CHEBI:225331 - 19,20-Epoxycytochalasin D

ChEBI IDCHEBI:225331
ChEBI Name19,20-Epoxycytochalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H37NO7
Net Charge0
Average Mass523.626
Monoisotopic Mass523.25700
SMILESC=C1[C@@H](O)C2/C=C\C[C@H](C)C(=O)[C@](C)(O)[C@@H]3O[C@H]3[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15-16,20-24,26-27,33,36H,3,10,14H2,1-2,4-5H3,(H,31,35)/b13-9-/t15-,16+,20?,21-,22-,23+,24+,26+,27+,29-,30-/m0/s1
InChIKeyWHJRAYUHVRYTTH-CIDHDKDUSA-N
Species of MetaboliteComponentSourceComments
Xylaria hypoxylon (ncbitaxon:37992) - DOI (10.1016/s0040-4020(97)00305-0)
ChEBI Ontology
Outgoing Relation(s)
19,20-Epoxycytochalasin D (CHEBI:225331) is a isoindoles (CHEBI:24897)
IUPAC Name 
[(1R,2S,3S,5R,6R,8S,10Z,13S,15S,16R,17S)-17-benzyl-6,13-dihydroxy-6,8,15-trimethyl-14-methylidene-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadec-10-en-2-yl] acetate