CHEBI:192457 - Salicifolioside A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Salicifolioside A
ChEBI ID CHEBI:192457
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/c1-39-15-10-16(27(40-2)22(34)19(15)14(31)9-8-13-6-4-3-5-7-13)42-29-26(38)24(36)21(33)18(44-29)12-41-28-25(37)23(35)20(32)17(11-30)43-28/h3-7,10,17-18,20-21,23-26,28-30,32-38H,8-9,11-12H2,1-2H3/t17?,18?,20-,21-,23+,24+,25?,26?,28-,29-/m1/s1
InChIKey HIBKUVNPLDZFLK-FLGFWZHASA-N
SMILES O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C(C(OC)=C2)C(=O)CCC3=CC=CC=C3)CO[C@@H]4OC([C@@H](O)[C@H](O)C4O)CO
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Salicifolioside A (CHEBI:192457) is a flavonoids (CHEBI:72544)
Salicifolioside A (CHEBI:192457) is a glycoside (CHEBI:24400)
IUPAC Name
1-[2-hydroxy-3,6-dimethoxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
Manual Xrefs Databases
24846109 ChemSpider
LMPK12120552 LIPID MAPS
View more database links