monoxerutin (CHEBI:134704)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:134704 - monoxerutin

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:134704
ChEBI Name	monoxerutin
Stars
Last Modified	23 February 2017
Downloads	Molfile

Formula	C29H34O17
Net Charge	0
Average Mass	654.574
Monoisotopic Mass	654.17960
SMILES	C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1
InChIKey	MBHXKZDTQCSVPM-BDAFLREQSA-N

Roles Classification

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

ChEBI Ontology

Outgoing Relation(s)
	monoxerutin (CHEBI:134704) has role cardiovascular drug (CHEBI:35554)
	monoxerutin (CHEBI:134704) is a flavonoids (CHEBI:72544)
	monoxerutin (CHEBI:134704) is a glycoside (CHEBI:24400)

INNs	Source
monoxerutina	WHO MedNet
monoxerutine	WHO MedNet

Synonyms	Source
7-o-(.beta.-hydroxyethyl)rutoside	ChEMBL
(.beta.-hydroxyethyl)rutoside, o-	ChEMBL
(beta-hydroxyethyl)rutoside, o-	ChEMBL
Monoxerutin	ChEMBL

Manual Xrefs	Databases
1835	DrugCentral

Registry Numbers	Sources
CAS:23869-24-1	DrugCentral

Citations