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CHEBI:169470 - Leucadenone B

ChEBI IDCHEBI:169470
ChEBI NameLeucadenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32O7
Net Charge0
Average Mass540.612
Monoisotopic Mass540.21480
SMILES[H][C@]12C(=O)C(C)(C)C(=O)C(C)(C)[C@]1(O)Oc1c(C)c(O)c3c(c1[C@@H]2c1ccccc1)O[C@H](c1ccccc1)CC3=O
InChIInChI=1S/C33H32O7/c1-17-26(35)23-20(34)16-21(18-12-8-6-9-13-18)39-28(23)24-22(19-14-10-7-11-15-19)25-29(36)31(2,3)30(37)32(4,5)33(25,38)40-27(17)24/h6-15,21-22,25,35,38H,16H2,1-5H3/t21-,22-,25-,33+/m0/s1
InChIKeyVAJKIKOYPOZJCO-SHHUEDPUSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Leucadenone B (CHEBI:169470) is a neoflavonoid (CHEBI:71971)
IUPAC Name 
(2S,7aR,11aS,12S)-5,7a-dihydroxy-6,8,8,10,10-pentamethyl-2,12-diphenyl-2,3,11a,12-tetrahydropyrano[2,3-a]xanthene-4,9,11-trione
Manual XrefsDatabases
24846303ChemSpider
LMPK12140153LIPID MAPS