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CHEBI:182864 - (2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

ChEBI IDCHEBI:182864
ChEBI Name(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O12
Net Charge0
Average Mass594.654
Monoisotopic Mass594.26763
SMILESOC[C@H]1O[C@@H](OC(CCCCc2ccc(O)cc2)CCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H42O12/c31-15-23-24(35)25(36)26(42-29-27(37)30(38,16-32)17-39-29)28(41-23)40-22(14-9-19-7-12-21(34)13-8-19)4-2-1-3-18-5-10-20(33)11-6-18/h5-8,10-13,22-29,31-38H,1-4,9,14-17H2/t22?,23-,24-,25+,26-,27+,28-,29+,30-/m1/s1
InChIKeyGFFOBQNFESRPJR-JKHMXVTDSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol (CHEBI:182864) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
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