CHEBI:176352 - Pelargonidin 3-O-arabinoside

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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 Pelargonidin 3-O-arabinoside
ChEBI ID CHEBI:176352
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H19O9
Net Charge +1
Average Mass 403.362
Monoisotopic Mass 403.10236
InChI InChI=1S/C20H18O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-7,14,17-18,20,24-26H,8H2,(H2-,21,22,23)/p+1/t14-,17?,18?,20-/m0/s1
InChIKey LEJPLPFWLUXHCB-VLNXYBQZSA-O
SMILES O1[C@@H](OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C(O)C(O)[C@@H](O)C1
Metabolite of Species Details
Malus sieversii (NCBI:txid106567) Found in exocarp;mesocarp (BTO:0000856). of strain Malus sieversii f. Neidzwetzkyana (Dieck) Langenf See: MetaboLights Study
ChEBI Ontology
Outgoing Pelargonidin 3-O-arabinoside (CHEBI:176352) is a flavonoids (CHEBI:72544)
Pelargonidin 3-O-arabinoside (CHEBI:176352) is a glycoside (CHEBI:24400)
IUPAC Name
(2S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxyoxane-3,4,5-triol
Manual Xrefs Databases
24842136 ChemSpider
LMPK12010089 LIPID MAPS
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