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CHEBI:184667 - Pneumatopterin A

ChEBI IDCHEBI:184667
ChEBI NamePneumatopterin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O15
Net Charge0
Average Mass626.608
Monoisotopic Mass626.22107
SMILESCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c(CO)c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)c2c1O[C@H](c1ccccc1)C[C@H]2O
InChIInChI=1S/C29H38O15/c1-11-25(43-28-23(38)21(36)19(34)16(9-31)41-28)13(8-30)27(44-29-24(39)22(37)20(35)17(10-32)42-29)18-14(33)7-15(40-26(11)18)12-5-3-2-4-6-12/h2-6,14-17,19-24,28-39H,7-10H2,1H3/t14-,15+,16?,17?,19-,20-,21+,22+,23?,24?,28+,29+/m1/s1
InChIKeyADJGLONWRMEELF-YCZNUOTMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pneumatopterin A (CHEBI:184667) is a flavonoids (CHEBI:72544)
Pneumatopterin A (CHEBI:184667) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,4S,5S)-2-[[(2S,4R)-4-hydroxy-6-(hydroxymethyl)-8-methyl-2-phenyl-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 XrefsDatabases
24842587ChemSpider
LMPK12020157LIPID MAPS