CHEBI:176222 - Chrysoeriol 7-rutinoside

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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 Chrysoeriol 7-rutinoside
ChEBI ID CHEBI:176222
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H32O15
Net Charge 0
Average Mass 608.549
Monoisotopic Mass 608.17412
InChI InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-16(42-18(20)7-12)11-3-4-13(29)17(5-11)38-2/h3-8,10,19,21-30,32-37H,9H2,1-2H3
InChIKey FVWCQCCVDNGNPX-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C
ChEBI Ontology
Outgoing Chrysoeriol 7-rutinoside (CHEBI:176222) is a flavonoids (CHEBI:72544)
Chrysoeriol 7-rutinoside (CHEBI:176222) is a glycoside (CHEBI:24400)
IUPAC Name
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xref Database
HMDB0037453 HMDB
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