CHEBI:169773 - Eruberin C

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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 Eruberin C
ChEBI ID CHEBI:169773
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H42O15
Net Charge 0
Average Mass 654.662
Monoisotopic Mass 654.25237
InChI InChI=1S/C31H42O15/c1-12-27(45-30-25(38)23(36)21(34)18(10-32)43-30)13(2)29(46-31-26(39)24(37)22(35)19(11-33)44-31)20-17(41-4)9-16(42-28(12)20)14-5-7-15(40-3)8-6-14/h5-8,16-19,21-26,30-39H,9-11H2,1-4H3/t16-,17+,18?,19?,21-,22-,23+,24+,25?,26?,30+,31+/m1/s1
InChIKey MQPDBDMSPVPGHL-FFGMFJLRSA-N
SMILES O1[C@@H](OC2=C3[C@@H](OC)C[C@@H](OC3=C(C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO)=C2C)C)C5=CC=C(OC)C=C5)C(O)[C@@H](O)[C@H](O)C1CO
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 Eruberin C (CHEBI:169773) is a flavonoids (CHEBI:72544)
Eruberin C (CHEBI:169773) is a glycoside (CHEBI:24400)
IUPAC Name
(3S,4S,6S)-2-(hydroxymethyl)-6-[[(2R,4S)-4-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
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24842595 ChemSpider
LMPK12020172 LIPID MAPS
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