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CHEBI:139462 - Sibiricose A1

ChEBI IDCHEBI:139462
ChEBI NameSibiricose A1
Stars
Last Modified16 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H32O15
Net Charge0
Average Mass548.494
Monoisotopic Mass548.17412
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C23H32O15/c1-33-11-5-10(6-12(34-2)16(11)27)3-4-15(26)35-8-14-17(28)19(30)20(31)22(36-14)38-23(9-25)21(32)18(29)13(7-24)37-23/h3-6,13-14,17-22,24-25,27-32H,7-9H2,1-2H3/b4-3+/t13-,14-,17-,18-,19+,20-,21+,22-,23+/m1/s1
InChIKeyDJBWDHVUJCXYBH-IBVGEFGBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sibiricose A1 (CHEBI:139462) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
4885191ChemSpider