CHEBI:184854 - Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside

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ChEBI Name Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside
ChEBI ID CHEBI:184854
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H38O17
Net Charge 0
Average Mass 682.628
Monoisotopic Mass 682.21090
InChI InChI=1S/C31H38O17/c32-9-20-22(36)23(37)24(48-29-26(39)31(41,13-44-29)12-43-28-25(38)30(40,10-33)11-42-28)27(47-20)45-15-6-16(34)21-17(35)8-18(46-19(21)7-15)14-4-2-1-3-5-14/h1-7,18,20,22-29,32-34,36-41H,8-13H2/t18?,20?,22-,23+,24?,25-,26-,27-,28+,29+,30?,31?/m1/s1
InChIKey OGHKMYABKJLKTL-RIEBUXQRSA-N
SMILES O([C@@H]1OCC(O)([C@@H]1O)CO[C@@H]2OCC(O)([C@@H]2O)CO)C3[C@@H](O)[C@H](O)C(O[C@H]3OC=4C=C5OC(CC(=O)C5=C(O)C4)C6=CC=CC=C6)CO
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 Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside (CHEBI:184854) is a flavonoids (CHEBI:72544)
Pinocembrin 7-apiosyl-(1->5)-apiosyl-(1->2)-glucoside (CHEBI:184854) is a glycoside (CHEBI:24400)
IUPAC Name
7-[(2S,4S,5S)-3-[(2S,3S)-4-[[(2S,3S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
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24846300 ChemSpider
LMPK12140145 LIPID MAPS
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