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: 3,6,9-trihydroxypterocarpan
Accession: CHEBI:15649
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Definition: A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9.
Synonyms: exact_synonym: (6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol
related_synonym: (6aS,11aS)-3,6a,9-Trihydroxypterocarpan; (6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol; (6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan; 6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol; Formula=C15H12O5; Glycinol; InChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1; InChIKey=QMXOFBXZEKTJIK-LSDHHAIUSA-N; SMILES=Oc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1
alt_id: CHEBI:10935; CHEBI:18600; CHEBI:260; CHEBI:78027
xref: CAS:69393-95-9; HMDB:HMDB0034105; KEGG:C01263; KNApSAcK:C00002532; LIPID_MAPS_instance:LMPK12070128; MetaCyc:6AS11AS-36A9-TRIHYDROXYPTEROCARPAN; PMID:16250441; PMID:16661917; PMID:16663042; PMID:19116342; PMID:19943626; PMID:21667928; Reaxys:1259301
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19811
role
19818
biological role
19785
antimicrobial agent
18104
3,6,9-trihydroxypterocarpan
0
(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
0
(6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan
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 atom
19734
organic molecular entity
19705
organic molecule
19658
organic cyclic compound
19471
organic heterocyclic compound
18862
organic heteropolycyclic compound
18301
benzofurochromene
1782
pterocarpans
0
3,6,9-trihydroxypterocarpan
0
(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
0
(6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan
0