CHEBI:196625 - Monospermoside

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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 Monospermoside
ChEBI ID CHEBI:196625
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H22O10
Net Charge 0
Average Mass 434.397
Monoisotopic Mass 434.12130
InChI InChI=1S/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-16-7-10(2-6-14(16)25)1-5-13(24)12-4-3-11(23)8-15(12)26/h1-8,17-23,25-29H,9H2/b5-1+/t17-,18-,19+,20-,21-/m1/s1
InChIKey RHWJRXHBNYDTON-RWGOFXMDSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C(C=CC2O)/C=C/C(=O)C3=C(O)C=C(O)C=C3)CO
ChEBI Ontology
Outgoing Monospermoside (CHEBI:196625) is a flavonoids (CHEBI:72544)
Monospermoside (CHEBI:196625) is a glycoside (CHEBI:24400)
IUPAC Name
(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
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24845865 ChemSpider
LMPK12120026 LIPID MAPS
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