The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB03758 http://purl.obolibrary.org/obo/dinto_DB03758
Preferred Name	radicicol
Synonyms	(1S,4R,6R,8R,15R,16S)-16-chloro-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadecane-2,13,17,19-tetrone C18H23ClO6
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	radicicol
label	radicicol
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=AECPBJMOGBFQDN-YMYQVXQQSA-N
Synonym	(1S,4R,6R,8R,15R,16S)-16-chloro-4-methyl-3,7-dioxatricyclo[13.4.0.0^{6,8}]nonadecane-2,13,17,19-tetrone C18H23ClO6
xref	PubChem Compound:46936786 ChEBI:556075 BindingDB:15361 PDB:RDI PubChem Substance:46504837
prefixIRI	obo2:dinto_DB03758
related with	http://purl.obolibrary.org/obo/dinto_0971 http://purl.obolibrary.org/obo/dinto_1389 http://purl.obolibrary.org/obo/dinto_0380 http://purl.obolibrary.org/obo/dinto_0399 http://purl.obolibrary.org/obo/dinto_1761
SMILES	[H][C@@]12CCCCC(=O)C[C@@]3([H])[C@]([H])(Cl)C(=O)CC(=O)[C@@]3([H])C(=O)O[C@]([H])(C)C[C@@]1([H])O2
InChI	InChI=1S/C18H23ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h9,11,14-17H,2-8H2,1H3/t9-,11-,14-,15-,16+,17+/m1/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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