CHEBI:179169 - Asebotin

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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 Asebotin
ChEBI ID CHEBI:179169
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H26O10
Net Charge 0
Average Mass 450.440
Monoisotopic Mass 450.15260
InChI InChI=1S/C22H26O10/c1-30-13-8-15(26)18(14(25)7-4-11-2-5-12(24)6-3-11)16(9-13)31-22-21(29)20(28)19(27)17(10-23)32-22/h2-3,5-6,8-9,17,19-24,26-29H,4,7,10H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey PQCIBORQLVRFMR-MIUGBVLSSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C(C(=O)CCC3=CC=C(O)C=C3)=C(O)C=C(OC)C2)CO
ChEBI Ontology
Outgoing Asebotin (CHEBI:179169) is a flavonoids (CHEBI:72544)
Asebotin (CHEBI:179169) is a glycoside (CHEBI:24400)
IUPAC Name
1-[2-hydroxy-4-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Manual Xref Database
9365239 ChemSpider
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