Viewing Compound With Structures

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Compound Report Overview

Compound Name: ESTRONE 3-SULFATE
Compound Identifier: 700151
Mol Structure 2D: 700151
Molecular Weight: 350
Formula: C18 H22 O5 S
Development Status: US FDA Approved
SMILES: CC12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C2CCC1=O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222102D 0 0.00000 0.00000 0^^ 27 30 0 1 0 999 V2000^ 1.4167 -3.4542 0.0000 S 0 0 3 0 0 0 0 0 0^ 5.7167 -0.1750 0.0000 C 0 0 1 0 0 0 0 0 0^ 5.7167 -0.9875 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.0042 -1.3000 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.2917 -0.9875 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.5792 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5792 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.0042 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2917 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.5375 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.0042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4167 -2.6250 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8542 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2417 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.5917 -3.4542 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.8542 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2917 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1417 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0^ 7.0292 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.4167 -4.2542 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.9167 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.1417 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.7292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.0042 -0.5375 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.2917 -1.8417 0.0000 H 0 0 0 0 0 0 0 0 0^ 6.0042 -1.9375 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 9 1 0 0 0^ 3 4 1 0 0 0^ 4 5 1 0 0 0^ 5 6 1 0 0 0^ 6 14 1 0 0 0^ 7 17 1 0 0 0^ 8 2 1 0 0 0^ 9 10 1 0 0 0^ 10 5 1 0 0 0^ 11 3 1 0 0 0^ 12 18 1 0 0 0^ 13 1 1 0 0 0^ 14 23 2 0 0 0^ 15 1 2 0 0 0^ 16 1 2 0 0 0^ 17 19 2 0 0 0^ 18 7 1 0 0 0^ 19 13 1 0 0 0^ 20 11 1 0 0 0^ 21 1 1 0 0 0^ 22 8 2 0 0 0^ 23 19 1 0 0 0^ 2 24 1 1 0 0^ 4 25 1 1 0 0^ 5 26 1 6 0 0^ 3 27 1 6 0 0^ 7 6 2 0 0 0^ 12 4 1 0 0 0^ 2 3 1 0 0 0^ 20 8 1 0 0 0^M END^^
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