CHEBI:145096 - isorhamnetin-3-O-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 isorhamnetin-3-O-rutinoside
ChEBI ID CHEBI:145096
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C28H32O16
Net Charge 0
Average Mass 624.548
Monoisotopic Mass 624.16903
InChI InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19+,21+,22-,23+,24+,27+,28-/m0/s1
InChIKey UIDGLYUNOUKLBM-GEBJFKNCSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(OC)=C(O)C=C4)CO[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C
ChEBI Ontology
Outgoing isorhamnetin-3-O-rutinoside (CHEBI:145096) is a disaccharide derivative (CHEBI:63353)
isorhamnetin-3-O-rutinoside (CHEBI:145096) is a glycosyloxyflavone (CHEBI:50018)
isorhamnetin-3-O-rutinoside (CHEBI:145096) is a monomethoxyflavone (CHEBI:25401)
isorhamnetin-3-O-rutinoside (CHEBI:145096) is a trihydroxyflavone (CHEBI:27116)