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CHEBI:202130 - Ascotrichester A

ChEBI IDCHEBI:202130
ChEBI NameAscotrichester A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O11
Net Charge0
Average Mass516.499
Monoisotopic Mass516.16316
SMILESC[C@H](Cc1cc(O)cc(O)c1C(=O)O[C@H](C)Cc1cc2cc(O)cc(O)c2c(=O)o1)OC(=O)C[C@@H](C)O
InChIInChI=1S/C26H28O11/c1-12(27)4-22(32)35-13(2)5-15-7-17(28)10-20(30)23(15)25(33)36-14(3)6-19-9-16-8-18(29)11-21(31)24(16)26(34)37-19/h7-14,27-31H,4-6H2,1-3H3/t12-,13-,14-/m1/s1
InChIKeyCHOQHDNARHROTH-MGPQQGTHSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - DOI (10.1016/j.tet.2016.06.062)
ChEBI Ontology
Outgoing Relation(s)
Ascotrichester A (CHEBI:202130) is a isocoumarins (CHEBI:38758)
IUPAC Name 
[(2R)-1-(6,8-dihydroxy-1-oxoisochromen-3-yl)propan-2-yl] 2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoate
Manual XrefsDatabases
58197017ChemSpider