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CHEBI:192954 - Matteuorienate B

ChEBI IDCHEBI:192954
ChEBI NameMatteuorienate B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O13
Net Charge0
Average Mass590.578
Monoisotopic Mass590.19994
SMILESCc1c(O)c2c(c(C)c1O[C@@H]1OC(COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)C1O)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C29H34O13/c1-13-22(34)21-16(30)9-17(15-7-5-4-6-8-15)40-27(21)14(2)26(13)42-28-25(37)24(36)23(35)18(41-28)12-39-20(33)11-29(3,38)10-19(31)32/h4-8,17-18,23-25,28,34-38H,9-12H2,1-3H3,(H,31,32)/t17-,18?,23+,24-,25?,28-,29?/m0/s1
InChIKeyGFQPYMAACFELLT-NXOUPTLBSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
Matteuorienate B (CHEBI:192954) is a flavonoids (CHEBI:72544)
Matteuorienate B (CHEBI:192954) is a glycoside (CHEBI:24400)
IUPAC Name 
3-hydroxy-3-methyl-5-oxo-5-[[(3S,4S,6S)-3,4,5-trihydroxy-6-[[(2S)-5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methoxy]pentanoic acid
Manual XrefsDatabases
24846291ChemSpider
LMPK12140135LIPID MAPS