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CHEBI:137520 - HCH-acetylsalicortin

ChEBI IDCHEBI:137520
ChEBI NameHCH-acetylsalicortin
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Last Modified22 June 2017
Submittermwilliams
DownloadsMolfile
FormulaC29H32O14
Net Charge0
Average Mass604.561
Monoisotopic Mass604.17921
SMILESCC(=O)O[C@H]1[C@H](Oc2ccccc2COC(=O)C2(O)C=CCCC2=O)O[C@H](COC(=O)C2(O)C=CCCC2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C29H32O14/c1-16(30)41-24-23(34)22(33)19(15-40-27(36)29(38)13-7-5-11-21(29)32)43-25(24)42-18-9-3-2-8-17(18)14-39-26(35)28(37)12-6-4-10-20(28)31/h2-3,6-9,12-13,19,22-25,33-34,37-38H,4-5,10-11,14-15H2,1H3/t19-,22-,23+,24-,25-,28?,29?/m1/s1
InChIKeyLZUGATSLHKVSGD-NQAYFINZSA-N
ChEBI Ontology
Outgoing Relation(s)
HCH-acetylsalicortin (CHEBI:137520) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(2-{[2-O-acetyl-6-O-(1-hydroxy-6-oxocyclohex-2-ene-1-carbonyl)-β-D-glucopyranosyl]oxy}phenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
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