CHEBI:176240 - Rustoside

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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 Rustoside
ChEBI ID CHEBI:176240
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O15
Net Charge 0
Average Mass 580.495
Monoisotopic Mass 580.14282
InChI InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2
InChIKey RXAXTTGJEMODPY-UHFFFAOYSA-N
SMILES O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)C5OCC(O)C(O)C5O
ChEBI Ontology
Outgoing Rustoside (CHEBI:176240) is a flavonoids (CHEBI:72544)
Rustoside (CHEBI:176240) is a glycoside (CHEBI:24400)
IUPAC Name
3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual Xref Database
HMDB0037533 HMDB
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