CHEBI:187756 - Pilosanol 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 Pilosanol B
ChEBI ID CHEBI:187756
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H30O10
Net Charge 0
Average Mass 526.538
Monoisotopic Mass 526.18390
InChI InChI=1S/C28H30O10/c1-11(2)23(34)22-25(36)16(24(35)12(3)26(22)37-4)8-14-18(30)10-19(31)15-9-21(33)27(38-28(14)15)13-5-6-17(29)20(32)7-13/h5-7,10-11,21,27,29-33,35-36H,8-9H2,1-4H3/t21-,27+/m0/s1
InChIKey KAAFBPHWBXQTAW-KDYSTLNUSA-N
SMILES O1[C@@H]([C@@H](O)CC2=C1C(CC3=C(O)C(=C(OC)C(=C3O)C)C(=O)C(C)C)=C(O)C=C2O)C4=CC(O)=C(O)C=C4
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 Pilosanol B (CHEBI:187756) is a catechin (CHEBI:23053)
IUPAC Name
1-[3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]-2-methylpropan-1-one
Manual Xrefs Databases
24842548 ChemSpider
LMPK12020072 LIPID MAPS
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