CHEBI:5160 - Forsythiaside

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ChEBI Name Forsythiaside
ChEBI ID CHEBI:5160
Stars This entity has been manually annotated by a third party.
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Formula C29H36O15
Net Charge 0
Average Mass 624.588
Monoisotopic Mass 624.20542
InChI InChI=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
InChIKey DTOUWTJYUCZJQD-UJERWXFOSA-N
SMILES C[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
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Forsythiaside (CHEBI:5160) is a hydroxycinnamic acid (CHEBI:24689)
Synonym Source
Forsythiaside KEGG COMPOUND
Manual Xrefs Databases
C00002744 KNApSAcK
C10456 KEGG COMPOUND
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Registry Number Type Source
79916-77-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014