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CHEBI:7785 - Orobanchoside

ChEBI IDCHEBI:7785
ChEBI NameOrobanchoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H36O16
Net Charge0
Average Mass640.591
Monoisotopic Mass640.20034
SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](OC[C@@H](O)c3ccc(O)c(O)c3)O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25-,26+,27+,28-,29+/m0/s1
InChIKeyPZTVNHKDWVHORF-FMEUUFJCSA-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)
Orobanchoside (CHEBI:7785) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
OrobanchosideKEGG COMPOUND
Manual XrefsDatabases
C00002763KNApSAcK
C10481KEGG COMPOUND
Registry NumbersSources
CAS:61276-16-2KEGG COMPOUND