EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40972 - 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE

Default Structure
ChEBI IDCHEBI:40972
ChEBI Name1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE
Stars
DownloadsMolfile
FormulaC20H16O3
Net Charge0
Average Mass304.345
Monoisotopic Mass304.10994
SMILES[H]O[C@@]1([H])[C@]([H])(O[H])c2c([H])c3c([H])c([H])c4c([H])c([H])c([H])c5c([H])c([H])c(c2C([H])([H])[C@@]1([H])O[H])c3c45
InChIInChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
InChIKeyGFANZDFKCCJYRF-NSISKUIASA-N
ChEBI Ontology
Outgoing Relation(s)
1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE (CHEBI:40972) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENEPDBeChem
(7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triolPDBeChem
Manual XrefsDatabases
BAPPDBeChem