CHEBI:186748 - Eruberin B

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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 B
ChEBI ID CHEBI:186748
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H40O15
Net Charge 0
Average Mass 640.635
Monoisotopic Mass 640.23672
InChI InChI=1S/C30H40O15/c1-11-26(44-29-24(38)22(36)20(34)17(9-31)42-29)12(2)28(45-30-25(39)23(37)21(35)18(10-32)43-30)19-15(33)8-16(41-27(11)19)13-4-6-14(40-3)7-5-13/h4-7,15-18,20-25,29-39H,8-10H2,1-3H3/t15-,16+,17?,18?,20+,21+,22-,23-,24?,25?,29-,30-/m0/s1
InChIKey WZHCAAJIMBUYAS-OLTMIKEFSA-N
SMILES O1[C@@H](OC2=C3[C@@H](O)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
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing Eruberin B (CHEBI:186748) is a flavonoids (CHEBI:72544)
Eruberin B (CHEBI:186748) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-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]-6-(hydroxymethyl)oxane-3,4,5-triol
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24842592 ChemSpider
LMPK12020168 LIPID MAPS
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