CHEBI:5646 - Hellicoside

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ChEBI Name Hellicoside
ChEBI ID CHEBI:5646
Stars This entity has been manually annotated by a third party.
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Formula C29H36O17
Net Charge 0
Average Mass 656.587
Monoisotopic Mass 656.19525
InChI InChI=1S/C29H36O17/c30-9-19-22(38)23(39)24(40)29(43-19)46-27-25(41)28(42-11-18(36)13-3-5-15(33)17(35)8-13)44-20(10-31)26(27)45-21(37)6-2-12-1-4-14(32)16(34)7-12/h1-8,18-20,22-36,38-41H,9-11H2/b6-2+/t18-,19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1
InChIKey IKASMYQBXBUEQS-AEAUTZEXSA-N
SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OC[C@@H](O)c3ccc(O)c(O)c3)O[C@H](CO)[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 Hellicoside (CHEBI:5646) is a hydroxycinnamic acid (CHEBI:24689)
Synonym Source
Hellicoside KEGG COMPOUND
Manual Xrefs Databases
C00002750 KNApSAcK
C10466 KEGG COMPOUND
View more database links
Registry Number Type Source
132278-04-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014