Viewing Compound With Structures

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Compound Report Overview

Compound Name: ATRACTYLOSIDE
Compound Identifier: 700048
Mol Structure 2D: 700048
Molecular Weight: 727
Formula: C30 H46 O16 S2
Development Status: Biochemical standard
SMILES: CC(C)CC(=O)OC1C(OC2CC(C3CCC4(CC5CCC4C3(C)C2)C(O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222042D 0 0.00000 0.00000 0^^ 51 55 0 1 0 999 V2000^ 3.9792 -3.9542 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.7917 0.8875 0.0000 C 0 0 2 0 0 0 0 0 0^ 6.1125 -0.2875 0.0000 C 0 0 1 0 0 0 0 0 0^ 4.7000 -3.5417 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.2625 -3.5417 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.2542 -5.2167 0.0000 S 0 0 3 0 0 0 0 0 0^ 1.8167 -3.5417 0.0000 S 0 0 3 0 0 0 0 0 0^ 4.7125 -2.7042 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.7875 0.1083 0.0000 C 0 0 2 0 0 0 0 0 0^ 5.4500 0.1083 0.0000 C 0 0 1 0 0 0 0 0 0^ 8.1417 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.7917 1.6958 0.0000 C 0 0 2 0 0 0 0 0 0^ 3.9792 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.2625 -2.7000 0.0000 C 0 0 2 0 0 0 0 0 0^ 4.7792 -0.2917 0.0000 C 0 0 2 0 0 0 0 0 0^ 7.4667 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9792 -4.7917 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5375 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 8.1417 0.8958 0.0000 C 0 0 1 0 0 0 0 0 0^ 6.1292 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4167 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.0417 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4167 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4292 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.4500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1042 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.4292 -1.4667 0.0000 C 0 0 1 0 0 0 0 0 0^ 7.4542 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7167 -5.9042 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.3917 -4.2667 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.2250 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.7875 -4.5167 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.7792 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.1250 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7292 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.0292 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.7000 -5.2167 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.0917 -3.1167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5375 -5.6250 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.2125 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.1500 -5.2167 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8917 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3417 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5375 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5375 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.1417 -6.0542 0.0000 C 0 0 3 0 0 0 0 0 0^ 5.4167 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.8667 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.1792 0.4750 0.0000 H 0 0 0 0 0 0 0 0 0^ 8.9667 0.8875 0.0000 H 0 0 0 0 0 0 0 0 0^ 4.7417 0.5250 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 9 1 0 0 0^ 3 26 1 0 0 0^ 4 1 1 0 0 0^ 5 1 1 0 0 0^ 6 17 1 0 0 0^ 7 18 1 0 0 0^ 8 4 1 0 0 0^ 9 3 1 0 0 0^ 10 15 1 0 0 0^ 11 12 1 0 0 0^ 12 2 1 0 0 0^ 13 14 1 0 0 0^ 14 5 1 0 0 0^ 15 33 1 0 0 0^ 2 16 1 1 0 0^ 1 17 1 1 0 0^ 5 18 1 6 0 0^ 19 34 1 0 0 0^ 20 25 1 0 0 0^ 4 21 1 6 0 0^ 15 22 1 1 0 0^ 23 21 1 0 0 0^ 8 24 1 1 0 0^ 25 10 1 0 0 0^ 26 27 1 0 0 0^ 27 24 1 6 0 0^ 28 9 1 0 0 0^ 29 6 2 0 0 0^ 30 7 2 0 0 0^ 31 7 2 0 0 0^ 32 6 2 0 0 0^ 33 27 1 0 0 0^ 34 28 1 0 0 0^ 35 11 2 0 0 0^ 36 22 2 0 0 0^ 37 23 2 0 0 0^ 38 7 1 0 0 0^ 39 6 1 0 0 0^ 12 40 1 1 0 0^ 41 23 1 0 0 0^ 3 42 1 1 0 0^ 43 22 1 0 0 0^ 14 44 1 1 0 0^ 45 44 1 0 0 0^ 46 41 1 0 0 0^ 47 46 1 0 0 0^ 48 46 1 0 0 0^ 9 49 1 6 0 0^ 19 50 1 1 0 0^ 10 51 1 6 0 0^ 13 8 1 0 0 0^ 10 3 1 0 0 0^ 20 2 1 0 0 0^ 11 19 1 0 0 0^ 19 16 1 0 0 0^M END^^
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