CHEBI:187655 - Pelargonidin 3-lathyroside

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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-lathyroside
ChEBI ID CHEBI:187655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29O14
Net Charge +1
Average Mass 565.503
Monoisotopic Mass 565.15518
InChI InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1
InChIKey NKUOSFBSKVBOJC-HVHHODJLSA-O
SMILES O(C1C(O)[C@@H](O)C(O[C@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)CO)[C@@H]5OC[C@@H](O)C(O)[C@H]5O
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 Pelargonidin 3-lathyroside (CHEBI:187655) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name
(2S,3R,5R)-2-[(2S,5R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
Manual Xrefs Databases
24842055 ChemSpider
LMPK12010008 LIPID MAPS
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