Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: GESTRINONE
Compound Identifier: 702801
Mol Structure 2D: 702801
Molecular Weight: 308
Formula: C21 H24 O2
Development Status: Launched outside US, not listed by FDA
SMILES: CCC12C=CC3=C4CCC(=O)C=C4CCC3C2CCC1(O)C#C
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100223052D 0 0.00000 0.00000 0^^ 25 28 0 1 0 999 V2000^ -0.6625 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5458 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.0750 0.6458 0.0000 C 0 0 2 0 0 0 0 0 0^ -1.5458 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2250 -0.8792 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.0750 -0.3542 0.0000 C 0 0 2 0 0 0 0 0 0^ -0.6500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2250 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1292 1.0875 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.4208 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3167 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.4208 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2250 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.0000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6625 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.3083 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2208 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.3083 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1500 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0917 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2542 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4792 -1.3375 0.0000 H 0 0 0 0 0 0 0 0 0^ 0.2125 0.1958 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 8 1 0 0 0^ 4 2 1 0 0 0^ 5 1 1 0 0 0^ 6 5 1 0 0 0^ 7 1 1 0 0 0^ 8 7 2 0 0 0^ 9 3 1 0 0 0^ 10 4 2 0 0 0^ 9 11 1 6 0 0^ 12 2 1 0 0 0^ 13 5 1 0 0 0^ 14 6 1 0 0 0^ 15 11 3 0 0 0^ 16 13 1 0 0 0^ 17 20 1 0 0 0^ 18 14 1 0 0 0^ 19 17 2 0 0 0^ 20 12 1 0 0 0^ 9 21 1 1 0 0^ 3 22 1 1 0 0^ 23 22 1 0 0 0^ 6 24 1 6 0 0^ 5 25 1 1 0 0^ 6 3 1 0 0 0^ 16 4 1 0 0 0^ 18 9 1 0 0 0^ 17 10 1 0 0 0^M END^^
Structure View
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