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CHEBI:197093 - Lupiniol A1

ChEBI IDCHEBI:197093
ChEBI NameLupiniol A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESC=C(C)C(O)Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2
InChIInChI=1S/C25H28O6/c1-13(2)5-10-17-23(29)18(11-19(27)14(3)4)24(30)22-20(28)12-21(31-25(17)22)15-6-8-16(26)9-7-15/h5-9,19,21,26-27,29-30H,3,10-12H2,1-2,4H3/t19?,21-/m0/s1
InChIKeyRQNQKHOOFUCYRD-QWAKEFERSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Lupiniol A1 (CHEBI:197093) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846389ChemSpider
LMPK12140290LIPID MAPS