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CHEBI:137985 - purpurein

ChEBI IDCHEBI:137985
ChEBI Namepurpurein
Stars
Last Modified24 July 2017
Submittermwilliams
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FormulaC21H28O9
Net Charge0
Average Mass424.446
Monoisotopic Mass424.17333
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@H](OC2CCCCC2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H28O9/c22-11-16-18(26)19(27)20(21(29-16)28-15-4-2-1-3-14(15)24)30-17(25)10-7-12-5-8-13(23)9-6-12/h5-10,14-16,18-24,26-27H,1-4,11H2/b10-7+/t14?,15?,16-,18-,19+,20-,21-/m1/s1
InChIKeyZTMPDTJBTNGZJH-CBUJGKTRSA-N
ChEBI Ontology
Outgoing Relation(s)
purpurein (CHEBI:137985) is a cinnamate ester (CHEBI:36087)
Synonym  Source
cis-2-hydroxycyclohexyl-2-O-p-coumaroyl-beta-D-glucopyranosideChEBI