EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204751 - (3S,4aS,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione

ChEBI IDCHEBI:204751
ChEBI Name(3S,4aS,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESC[C@@]1(O)CC(=O)[C@]2(O)C3=C(CC[C@]2(O)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C19H18O7/c1-17(24)7-12(21)19(26)14-10(5-6-18(19,25)8-17)15(22)13-9(16(14)23)3-2-4-11(13)20/h2-4,20,24-26H,5-8H2,1H3/t17-,18+,19+/m1/s1
InChIKeyGUYWBYSVTCSING-QYZOEREBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00081a020)
ChEBI Ontology
Outgoing Relation(s)
(3S,4aS,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione (CHEBI:204751) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(3S,4aS,12bS)-3,4a,8,12b-tetrahydroxy-3-methyl-2,4,5,6-tetrahydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
8513893ChemSpider