CHEBI:187555 - Rutaretin 9-rutinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Rutaretin 9-rutinoside
ChEBI ID CHEBI:187555
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O14
Net Charge 0
Average Mass 570.544
Monoisotopic Mass 570.19486
InChI InChI=1S/C26H34O14/c1-9-15(28)17(30)19(32)24(36-9)35-8-12-16(29)18(31)20(33)25(37-12)40-23-21-10(4-5-14(27)39-21)6-11-7-13(26(2,3)34)38-22(11)23/h4-6,9,12-13,15-20,24-25,28-34H,7-8H2,1-3H3
InChIKey BXZHQIFYFLLPME-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=3OC(CC3C=C4C2OC(=O)C=C4)C(O)(C)C)COC5OC(C(O)C(O)C5O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Rutaretin 9-rutinoside (CHEBI:187555) is a coumarins (CHEBI:23403)
Rutaretin 9-rutinoside (CHEBI:187555) is a glycoside (CHEBI:24400)
IUPAC Name
2-(2-hydroxypropan-2-yl)-9-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-7-one
Manual Xref Database
HMDB0034611 HMDB
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