CHEBI:176391 - Pinnatifinoside 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 Pinnatifinoside A
ChEBI ID CHEBI:176391
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O9
Net Charge 0
Average Mass 414.366
Monoisotopic Mass 414.09508
InChI InChI=1S/C21H18O9/c22-7-15-18(26)20(27)21(30-15)8-28-14-6-12(25)16-11(24)5-13(29-19(16)17(14)21)9-1-3-10(23)4-2-9/h1-6,15,18,20,22-23,25-27H,7-8H2/t15-,18-,20+,21-/m0/s1
InChIKey FOVMHAAPEQFGFL-MEGFKASBSA-N
SMILES O1[C@]2([C@H](O)[C@@H](O)[C@@H]1CO)C3=C(OC2)C=C(O)C4=C3OC(=CC4=O)C5=CC=C(O)C=C5
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in blood plasma (BTO:0000131). of strain ICR Mouse [NCIT:C37408] See: MetaboLights Study
ChEBI Ontology
Outgoing Pinnatifinoside A (CHEBI:176391) is a flavones (CHEBI:24043)
IUPAC Name
(3'R,4'R,5'S,9R)-3',4',5-trihydroxy-5'-(hydroxymethyl)-2-(4-hydroxyphenyl)spiro[8H-uro[2,3-h]chromene-9,2'-oxolane]-4-one
Manual Xrefs Databases
24843451 ChemSpider
LMPK12110397 LIPID MAPS
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