EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:5160 - Forsythiaside

ChEBI IDCHEBI:5160
ChEBI NameForsythiaside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H36O15
Net Charge0
Average Mass624.592
Monoisotopic Mass624.20542
SMILESC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1
InChIKeyDTOUWTJYUCZJQD-UJERWXFOSA-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)
Forsythiaside (CHEBI:5160) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
ForsythiasideKEGG COMPOUND
Manual XrefsDatabases
C00002744KNApSAcK
C10456KEGG COMPOUND
Registry NumbersSources
CAS:79916-77-1KEGG COMPOUND