EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41681 - 1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE

Default Structure
ChEBI IDCHEBI:41681
ChEBI Name1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE
Stars
DownloadsMolfile
FormulaC21H24O7
Net Charge0
Average Mass388.416
Monoisotopic Mass388.15220
SMILES[H]OC1=C([H])[C@]([H])([C@]([H])(OC([H])([H])[H])C(=O)[C@@]([H])(O[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C2=C1C(=O)c1c(O[H])c(C([H])([H])[H])c([H])c([H])c1C2([H])[H]
InChIInChI=1S/C21H24O7/c1-9-4-5-11-6-12-7-13(21(28-3)20(27)18(25)10(2)22)8-14(23)15(12)19(26)16(11)17(9)24/h4-5,8,10,13,18,21-25H,6-7H2,1-3H3/t10-,13-,18+,21+/m1/s1
InChIKeyHLGAJDCUXYQZBG-FAGSEQTRSA-N
ChEBI Ontology
Outgoing Relation(s)
1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONE (CHEBI:41681) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,8-DIHYDROXY-7-METHYL-3-(1,3,4-TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO-2H-ANTHRACEN-9-ONEPDBeChem
(1S)-5-deoxy-1-C-[(2R)-4,5-dihydroxy-6-methyl-10-oxo-1,2,9,10-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulosePDBeChem
Manual XrefsDatabases
CPHPDBeChem