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Compound Report Overview

Compound Name: PHALLOIDIN
Compound Identifier: 706610
Mol Structure 2D: 706610
Molecular Weight: 789
Formula: C35 H48 N8 O11 S
Development Status: Toxicology standard
SMILES: CC(C)C1NC(=O)C(CC(C)CO)NC(=O)C2Cc3c(SCC(NC(=O)N4CC(O)CC4C(=O)NC(C)C(=O)N2)C(=O)C(NC1=O)C(O)C(=O)O)[nH]c5ccccc35
Compound Structures
>^ ISISHOST01100310032D 0 0.00000 0.00000 0^^ 55 59 0 0 0 999 V2000^ 3.5667 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.6750 -2.9083 0.0000 N 0 0 3 0 0 0 0 0 0^ 2.8208 -3.3667 0.0000 C 0 0 3 0 0 0 0 0 0^ -0.2167 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.9792 -1.7208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3208 -2.7833 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.3500 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.6917 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.0292 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.2333 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.5708 -3.7833 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.4667 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6750 -2.2000 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.3375 -2.2583 0.0000 N 0 0 0 0 0 0 0 0 0^ 3.0292 -3.9917 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.0292 0.5042 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.9708 -0.4458 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.7167 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.4833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1125 -3.2417 0.0000 C 0 0 3 0 0 0 0 0 0^ 2.4000 0.0917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.2000 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5875 0.0042 0.0000 C 0 0 3 0 0 0 0 0 0^ 4.2333 -1.8667 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.3417 -1.9125 0.0000 S 0 0 0 0 0 0 0 0 0^ 1.9625 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1625 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.9000 -0.2875 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.9458 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7375 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.0750 -0.3208 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.4667 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4667 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.3208 -2.6958 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.6333 -3.9917 0.0000 O 0 0 0 0 0 0 0 0 0^ 1.8625 -3.6583 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.7333 -3.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.1167 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0^ 5.0250 -0.2458 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.6125 0.7167 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.3000 0.7542 0.0000 O 0 0 0 0 0 0 0 0 0^ -1.8417 -2.6167 0.0000 C 0 0 3 0 0 0 0 0 0^ 3.7958 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8583 -4.1583 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.6500 -1.4083 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5917 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.5333 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.5208 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7333 1.5042 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2333 0.4583 0.0000 C 0 0 3 0 0 0 0 0 0^ 0.6208 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.4833 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8583 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1208 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.1042 -2.1333 0.0000 C 0 0 0 0 0 0 0 0 0^ 3 9 1 0 0 0^ 4 2 1 0 0 0^ 5 25 1 0 0 0^ 6 3 1 0 0 0^ 7 5 2 0 0 0^ 8 24 1 0 0 0^ 9 20 1 0 0 0^ 10 6 1 0 0 0^ 11 4 1 0 0 0^ 12 13 1 0 0 0^ 13 2 1 0 0 0^ 14 5 1 0 0 0^ 15 3 1 0 0 0^ 16 22 1 0 0 0^ 17 21 1 0 0 0^ 18 12 1 0 0 0^ 19 8 1 0 0 0^ 20 11 1 0 0 0^ 21 23 1 0 0 0^ 22 31 1 0 0 0^ 23 16 1 0 0 0^ 24 10 1 0 0 0^ 25 34 1 0 0 0^ 26 7 1 0 0 0^ 27 23 1 0 0 0^ 28 17 1 0 0 0^ 29 14 1 0 0 0^ 30 15 1 0 0 0^ 31 18 1 0 0 0^ 32 13 1 0 0 0^ 33 2 1 0 0 0^ 34 20 1 0 0 0^ 35 4 2 0 0 0^ 36 9 2 0 0 0^ 37 10 2 0 0 0^ 38 12 2 0 0 0^ 39 19 2 0 0 0^ 40 21 2 0 0 0^ 41 22 2 0 0 0^ 42 33 1 0 0 0^ 43 28 1 0 0 0^ 44 15 1 0 0 0^ 45 24 1 0 0 0^ 46 42 1 0 0 0^ 47 26 1 0 0 0^ 48 29 1 0 0 0^ 49 52 1 0 0 0^ 50 43 1 0 0 0^ 51 31 1 0 0 0^ 52 50 1 0 0 0^ 53 50 1 0 0 0^ 54 47 2 0 0 0^ 55 48 2 0 0 0^ 32 42 1 0 0 0^ 7 27 1 0 0 0^ 26 29 2 0 0 0^ 28 19 1 0 0 0^ 54 55 1 0 0 0^ 50 1 1 0 0 0^M END^^
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