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CHEBI:203213 - 15G256alpha-2

ChEBI IDCHEBI:203213
ChEBI Name15G256alpha-2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O16
Net Charge0
Average Mass680.656
Monoisotopic Mass680.23164
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)OC(=O)C[C@H](O)CO
InChIInChI=1S/C32H40O16/c1-15(5-19-9-21(34)11-24(37)29(19)31(43)47-17(3)7-26(39)40)45-27(41)8-18(4)48-32(44)30-20(10-22(35)12-25(30)38)6-16(2)46-28(42)13-23(36)14-33/h9-12,15-18,23,33-38H,5-8,13-14H2,1-4H3,(H,39,40)/t15-,16-,17-,18-,23+/m1/s1
InChIKeyBUGXOGZCQNYNNM-RZOYPLJHSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon (ncbitaxon:42308) - DOI (10.1016/s0040-4020(02)00746-9)
ChEBI Ontology
Outgoing Relation(s)
15G256alpha-2 (CHEBI:203213) is a 4-hydroxybenzoate ester (CHEBI:79323)
IUPAC Name 
(3R)-3-[2-[(2R)-2-[(3R)-3-[2-[(2R)-2-[(3S)-3,4-dihydroxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoyl]oxypropyl]-4,6-dihydroxybenzoyl]oxybutanoic acid
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