CHEBI:184667 - Pneumatopterin 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 Pneumatopterin A
ChEBI ID CHEBI:184667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H38O15
Net Charge 0
Average Mass 626.608
Monoisotopic Mass 626.22107
InChI InChI=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
InChIKey ADJGLONWRMEELF-YCZNUOTMSA-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=CC=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 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 Xrefs Databases
24842587 ChemSpider
LMPK12020157 LIPID MAPS
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