ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

Well this is embarrassing

If you believe there should have been a result, please tell us what you think is missing. (Vendor ID, Compound ID, URL to where we can find the molecule on line). Thanks!

Parameters Provided:

name.synonym = 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=2%2C5-Cyclohexadiene-1%2C4-dione%2C+2%2C5-dihydroxy-3-undecyl-%3B+2%2C5-Dihydroxy-3-undecyl-1%2C4-benzoquinone%3B+2%2C5-Dihydroxy-3-undecyl-2%2C5-cyclohexadiene-1%2C4-dione%3B+2%2C5-dihydroxy-3-undecyl-p-benzoquinone%3B+BRN+1885786%3B+C17H26O4%3B+EINECS+208-979-8%3B+Embelic+acid%3B+Embelin&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-undecyl-; 2,5-Dihydroxy-3-undecyl-1,4-benzoquinone; 2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione; 2,5-dihydroxy-3-undecyl-p-benzoquinone; BRN 1885786; C17H26O4; EINECS 208-979-8; Embelic acid; Embelin" }); </script>