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CHEBI:219962 - Ascotrichester B

ChEBI IDCHEBI:219962
ChEBI NameAscotrichester B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O13
Net Charge0
Average Mass578.567
Monoisotopic Mass578.19994
SMILESC[C@H](Cc1cc(O)cc(O)c1C(=O)O)OC(=O)C[C@@H](C)OC(=O)c1c(O)cc(O)cc1C[C@@H](C)OC(=O)C[C@@H](C)O
InChIInChI=1S/C28H34O13/c1-13(29)5-23(34)39-15(3)7-18-10-20(31)12-22(33)26(18)28(38)41-16(4)8-24(35)40-14(2)6-17-9-19(30)11-21(32)25(17)27(36)37/h9-16,29-33H,5-8H2,1-4H3,(H,36,37)/t13-,14-,15-,16-/m1/s1
InChIKeyBQGBVGBMHICNGZ-KLHDSHLOSA-N
Species of MetaboliteComponentSourceComments
Ascotrichaspecies ZJ-M-5 (ncbitaxon:1217164) - DOI (10.1016/j.tet.2016.06.062)
ChEBI Ontology
Outgoing Relation(s)
Ascotrichester B (CHEBI:219962) has functional parent tetracarboxylic acid (CHEBI:35742)
Ascotrichester B (CHEBI:219962) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(2R)-2-[(3R)-3-hydroxybutanoyl]oxypropyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoic acid
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58197018ChemSpider