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CHEBI:200434 - 15G256pi

ChEBI IDCHEBI:200434
ChEBI Name15G256pi
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O13
Net Charge0
Average Mass578.567
Monoisotopic Mass578.19994
SMILESC[C@H](Cc1cc(O)cc(O)c1C(=O)O[C@H](C)CC(=O)O)OC(=O)C[C@@H](C)OC(=O)c1c(O)cc(O)cc1C[C@@H](C)O
InChIInChI=1S/C28H34O13/c1-13(29)5-17-9-19(30)11-21(32)25(17)27(37)41-16(4)8-24(36)39-14(2)6-18-10-20(31)12-22(33)26(18)28(38)40-15(3)7-23(34)35/h9-16,29-33H,5-8H2,1-4H3,(H,34,35)/t13-,14-,15-,16-/m1/s1
InChIKeyBXRYQSJVKZGYMP-KLHDSHLOSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - DOI (10.1016/s0040-4020(02)00746-9)
ChEBI Ontology
Outgoing Relation(s)
15G256pi (CHEBI:200434) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3R)-3-[2-[(2R)-2-[(3R)-3-[2,4-dihydroxy-6-[(2R)-2-hydroxypropyl]benzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid
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