CHEBI:180828 - Isorhamnetin 3-rutinoside 4'-rhamnoside

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 Isorhamnetin 3-rutinoside 4'-rhamnoside
ChEBI ID CHEBI:180828
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H42O20
Net Charge 0
Average Mass 770.690
Monoisotopic Mass 770.22694
InChI InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3
InChIKey YJJATMIYFDTODI-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(OC5OC(C(O)C(O)C5O)C)C=C4)COC6OC(C(O)C(O)C6O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing Isorhamnetin 3-rutinoside 4'-rhamnoside (CHEBI:180828) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-rutinoside 4'-rhamnoside (CHEBI:180828) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-[3-methoxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xref Database
HMDB0037748 HMDB
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