CHEBI:168150 - Myricetin 3-robinobioside

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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 Myricetin 3-robinobioside
ChEBI ID CHEBI:168150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H30O17
Net Charge 0
Average Mass 626.520
Monoisotopic Mass 626.14830
InChI InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3/t7?,14?,16-,18-,20-,21?,22?,23?,26+,27-/m0/s1
InChIKey QCIILLDRJZPUDI-PECTUGBTSA-N
SMILES O1C([C@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)CO[C@@H]5OC([C@H](O)[C@H](O)C5O)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Myricetin 3-robinobioside (CHEBI:168150) is a flavonoids (CHEBI:72544)
Myricetin 3-robinobioside (CHEBI:168150) is a glycoside (CHEBI:24400)
IUPAC Name
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2S,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual Xrefs Databases
24845103 ChemSpider
LMPK12112413 LIPID MAPS
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