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rutarin

Go to external page http://purl.obolibrary.org/obo/CHEBI_69039

A monosaccharide derivative that is beta-D-glucopyranose in which the hydroxy group at position 1 is substituted by a [(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl]oxy group. It is a natural product found in several plant species including Ruta graveolens and Citropsis articulata.

Term info

Label

rutarin

Synonyms
  • (2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-9-yl beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C20H24O10

has alternative id

CHEBI:8921

has obo namespace

chebi_ontology

has related synonym

campesenin, 9-(beta-D-glucopyranosyloxy)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one, (2S)-2-(2-hydroxypropan-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-9-yl beta-D-glucopyranoside

id

CHEBI:69039

inchi

InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11+,13-,14+,15-,19+/m1/s1

inchikey

JWWFVRMFYKPZNE-VVIWCBLHSA-N

mass

424.402

monoisotopicmass

424.13695

smiles

[C@H]1(OC=2C=3O[C@H](C(C)(C)O)CC3C=C4C2OC(=O)C=C4)[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O