CHEBI:68350 - 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
ChEBI ID CHEBI:68350
ChEBI ASCII Name 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside
Definition A glycosyloxyflavone that is 4',5,7-trihydroxy-3-methoxyflavone attached to a rutionsyl residue at position 7. It is isolated from the whole plant of Lepisorus contortus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H32O15
Net Charge 0
Average Mass 608.54470
Monoisotopic Mass 608.17412
InChI InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)39-9-16-19(32)22(35)24(37)28(43-16)41-13-7-14(30)17-15(8-13)42-25(26(38-2)20(17)33)11-3-5-12(29)6-4-11/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10-,16+,18-,19+,21+,22-,23+,24+,27+,28+/m0/s1
InChIKey DDCXRGLXWQTCFL-ZREHCGJISA-N
SMILES COc1c(oc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1
Metabolite of Species Details
Lepisorus contortus (NCBI:txid699669) Found in whole plant (BTO:0001461). 95% EtOH extract of air-dried, powdered whole plant See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) has functional parent kaempferol (CHEBI:28499)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) has role metabolite (CHEBI:25212)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a dihydroxyflavone (CHEBI:38686)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a disaccharide derivative (CHEBI:63353)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a glycosyloxyflavone (CHEBI:50018)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a monomethoxyflavone (CHEBI:25401)
4',5,7-trihydroxy-3-methoxyflavone-7-O-rutinoside (CHEBI:68350) is a rutinoside (CHEBI:26587)
IUPAC Name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-4-oxo-4H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Synonym Source
7-rutinosyl-3-methoxy-kaempferol ChEBI
Registry Number Type Source
1339825 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21261296 PubMed citation Europe PMC
Last Modified
24 September 2013