Viewing Compound With Structures

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Compound Report Overview

Compound Name: PENITREM A
Compound Identifier: 700656
Mol Structure 2D: 700656
Molecular Weight: 634
Formula: C37 H44 Cl N O6
Development Status: Biochemical standard
SMILES: CC(=C)C1OC2CCC3(C)C4(C)C(CCC3(O)C52OC5C1O)C6OC(C)(C)C7CC8C(=C)Cc9c(Cl)cc%10[nH]c4c6c%10c9C87O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222192D 0 0.00000 0.00000 0^^ 52 61 0 0 0 999 V2000^ 1.7292 -0.5417 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.3792 -0.1792 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.1167 -0.1792 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8333 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.1458 -0.1667 0.0000 C 0 0 2 0 0 0 0 0 0^ 1.8542 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5625 0.9625 0.0000 C 0 0 2 0 0 0 0 0 0^ 0.4792 -0.5375 0.0000 C 0 0 1 0 0 0 0 0 0^ -2.5708 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.8833 0.7375 0.0000 C 0 0 2 0 0 0 0 0 0^ -2.1958 1.4708 0.0000 C 0 0 1 0 0 0 0 0 0^ -1.2500 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.1333 0.5625 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.1958 1.2750 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.7375 -1.2792 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.2125 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9458 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.5208 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.0125 -0.5500 0.0000 C 0 0 2 0 0 0 0 0 0^ 2.3625 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.6833 1.6875 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.0167 -1.2792 0.0000 C 0 0 2 0 0 0 0 0 0^ -3.7625 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8333 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.7500 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.2125 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5875 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.4750 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6417 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.6292 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.9708 0.7375 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.3458 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6417 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.4333 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.8375 -1.1292 0.0000 Cl 0 0 0 0 0 0 0 0 0^ -1.0333 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8458 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.6792 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0^ 1.7292 -1.9250 0.0000 H 0 0 0 0 0 0 0 0 0^ 3.5292 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.1333 1.2125 0.0000 H 0 0 0 0 0 0 0 0 0^ -0.8375 1.3333 0.0000 H 0 0 0 0 0 0 0 0 0^ -2.2583 2.0458 0.0000 H 0 0 0 0 0 0 0 0 0^ -3.6625 1.6708 0.0000 H 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 5 2 0 0 0^ 5 6 1 0 0 0^ 6 9 1 0 0 0^ 1 7 1 6 0 0^ 8 10 1 0 0 0^ 9 3 1 0 0 0^ 10 11 2 0 0 0^ 11 4 1 0 0 0^ 12 15 1 0 0 0^ 13 23 1 0 0 0^ 14 5 1 0 0 0^ 15 32 1 0 0 0^ 16 8 1 0 0 0^ 17 1 1 0 0 0^ 18 10 1 0 0 0^ 19 14 1 0 0 0^ 20 12 1 0 0 0^ 21 2 1 0 0 0^ 22 17 1 0 0 0^ 23 20 1 0 0 0^ 24 22 1 0 0 0^ 25 27 1 0 0 0^ 26 13 1 0 0 0^ 27 18 1 0 0 0^ 28 29 1 0 0 0^ 29 19 2 0 0 0^ 30 3 1 0 0 0^ 31 34 1 0 0 0^ 32 30 1 0 0 0^ 33 24 1 0 0 0^ 34 17 1 0 0 0^ 3 35 1 6 0 0^ 8 36 1 6 0 0^ 37 25 2 0 0 0^ 38 33 2 0 0 0^ 21 39 1 1 0 0^ 6 40 1 6 0 0^ 9 41 1 1 0 0^ 42 28 1 0 0 0^ 43 23 1 0 0 0^ 44 23 1 0 0 0^ 45 33 1 0 0 0^ 2 46 1 1 0 0^ 17 47 1 6 0 0^ 24 48 1 6 0 0^ 15 49 1 1 0 0^ 12 50 1 6 0 0^ 13 51 1 1 0 0^ 16 52 1 6 0 0^ 7 2 1 0 0 0^ 31 9 1 0 0 0^ 24 21 1 0 0 0^ 15 6 1 0 0 0^ 12 4 1 0 0 0^ 19 11 1 0 0 0^ 13 8 1 0 0 0^ 28 18 2 0 0 0^ 26 16 1 0 0 0^ 25 16 1 0 0 0^M END^^
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