CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: 3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
Accession: CHEBI:146218
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Synonyms: related_synonym: 2-acetyl-3,4a,8,10,11,12a-hexahydroxy-1,4,4a,5,12,12a-hexahydrotetracene-1,12-dione; Formula=C20H15O9; InChI=1S/C20H16O9/c1-7(21)13-12(24)6-19(28)5-9-2-8-3-10(22)4-11(23)14(8)16(25)15(9)18(27)20(19,29)17(13)26/h2-4,22-25,28-29H,5-6H2,1H3/p-1; InChIKey=QUQTYIYOYNVOJS-UHFFFAOYSA-M; SMILES=C=1(C2=C(C=C(C1)O)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)[O-])O)O)=O)O
xref: PMID:21866960
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
chemical entity
19840
atom
19809
nonmetal atom
19747
carbon atom
19734
organic molecular entity
19705
3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
0
Path 2
CHEBI ontology
19811
subatomic particle
19809
composite particle
19809
hadron
19840
baryon
19809
nucleon
19809
atomic nucleus
19809
atom
19809
main group element atom
19759
p-block element atom
19759
carbon group element atom
19708
carbon group molecular entity
19708
organic molecular entity
19705
organic ion
9854
organic anion
3609
enolate
0
TAN-1612(1-)
0
3-acetyl-4a,6,7,9,12a-pentahydroxy-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate
0