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)

• 4995650
• 4995651
• 4995652
• 4995653

Parameters Provided:

name.synonym = 1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone; 2-Hydroxy-3-methyl-4-acetyltetrahydrofuran; 2-Hydroxy-3-methyl-4-acetyltetrahydrofurane; Antibiotic PSX 1; BRN 2935786; Botryodiplodin; Cytostipin; Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)-
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 '1-(Tetrahydro-5-hydroxy-4-methyl-3-furanyl)ethanone; 2-Hydroxy-3-methyl-4-acetyltetrahydrofuran; 2-Hydroxy-3-methyl-4-acetyltetrahydrofurane; Antibiotic PSX 1; BRN 2935786; Botryodiplodin; Cytostipin; Ethanone, 1-(tetrahydro-5-hydroxy-4-methyl-3-furanyl)-' 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

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//zinc12.docking.org/results/combination?name.synonym=1-%28Tetrahydro-5-hydroxy-4-methyl-3-furanyl%29ethanone%3B+2-Hydroxy-3-methyl-4-acetyltetrahydrofuran%3B+2-Hydroxy-3-methyl-4-acetyltetrahydrofurane%3B+Antibiotic+PSX+1%3B+BRN+2935786%3B+Botryodiplodin%3B+Cytostipin%3B+Ethanone%2C+1-%28tetrahydro-5-hydroxy-4-methyl-3-furanyl%29-&filter.purchasability=all

Embed Link to Results

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