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CHEBI:223606 - Bu-2313 A

ChEBI IDCHEBI:223606
ChEBI NameBu-2313 A
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SubmitterMetaboLights
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FormulaC27H35NO9
Net Charge0
Average Mass517.575
Monoisotopic Mass517.23118
SMILESCOC(=O)[C@H]1[C@@H](C)O[C@@]2(C)CC(=O)[C@@H]3O[C@@]12O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1C(=O)CN(C)C1=O)[C@H]3C
InChIInChI=1S/C27H35NO9/c1-13(8-9-17(29)20-19(31)12-28(6)24(20)32)10-14(2)22-15(3)23-18(30)11-26(5)27(36-22,37-23)21(16(4)35-26)25(33)34-7/h8-10,14-16,21-23,29H,11-12H2,1-7H3/b9-8+,13-10+,20-17?/t14-,15-,16-,21-,22-,23-,26+,27+/m1/s1
InChIKeyGJDWUPRATYQDKW-CJPZJHRBSA-N
ChEBI Ontology
Outgoing Relation(s)
Bu-2313 A (CHEBI:223606) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,3R,5S,8R,9R,10R)-10-[(2R,3E,5E)-7-hydroxy-4-methyl-7-(1-methyl-2,4-dioxopyrrolidin-3-ylidene)hepta-3,5-dien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.01,5]dodecane-2-carboxylate
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