CHEBI:187389 - Triphyllin A

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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 Triphyllin A
ChEBI ID CHEBI:187389
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C30H40O16
Net Charge 0
Average Mass 656.634
Monoisotopic Mass 656.23164
InChI InChI=1S/C30H40O16/c1-11-26(45-29-24(39)22(37)20(35)17(9-32)43-29)14(8-31)28(46-30-25(40)23(38)21(36)18(10-33)44-30)19-15(34)7-16(42-27(11)19)12-3-5-13(41-2)6-4-12/h3-6,15-18,20-25,29-40H,7-10H2,1-2H3/t15-,16+,17?,18?,20+,21+,22-,23-,24?,25?,29-,30-/m0/s1
InChIKey KIOGDCNEFKPDDB-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)=C2CO)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 Triphyllin A (CHEBI:187389) is a flavonoids (CHEBI:72544)
Triphyllin A (CHEBI:187389) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,4S,5S)-2-[[(2R,4S)-4-hydroxy-6-(hydroxymethyl)-2-(4-methoxyphenyl)-8-methyl-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
Manual Xrefs Databases
24842593 ChemSpider
LMPK12020169 LIPID MAPS
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