Mol:BMMCBZ4Ss017
From Metabolomics.JP
(Difference between revisions)
Line 94: | Line 94: | ||
EXACTMASS 576.41786028 | EXACTMASS 576.41786028 | ||
AVERAGEMASS 576.8488400000001 | AVERAGEMASS 576.8488400000001 | ||
− | |||
SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(=CCCC(C)=CCc(c1O)cc(cc(OC)1)C(O)=O)C)C | SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(=CCCC(C)=CCc(c1O)cc(cc(OC)1)C(O)=O)C)C | ||
M END | M END |
Latest revision as of 16:20, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 42 42 0 0 0 999 V2000 22.7215 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 23.4360 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 24.1505 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 23.4360 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 22.0071 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 19.8637 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 20.5781 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 21.2926 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 20.5781 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 19.1492 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 17.0090 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 17.7235 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 18.4380 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 17.7235 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 16.2946 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 10.5788 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 11.2933 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 9.8643 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 12.0077 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 12.7222 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 12.0077 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 13.4367 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 14.1512 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 14.8656 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 15.5801 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 14.8656 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 24.8650 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 25.5794 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 26.2939 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0 27.0084 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 26.2939 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0 9.1513 -9.2444 0.0000 C 0 0 0 0 0 0 0 0 0 9.8643 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0 8.4348 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 9.1513 -10.0678 0.0000 O 0 0 0 0 0 0 0 0 0 9.1513 -7.5906 0.0000 C 0 0 0 0 0 0 0 0 0 8.4348 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0 7.7107 -9.2444 0.0000 O 0 0 0 0 0 0 0 0 0 9.1513 -6.7638 0.0000 C 0 0 0 0 0 0 0 0 0 6.9941 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0 9.8678 -6.3431 0.0000 O 0 0 0 0 0 0 0 0 0 8.4348 -6.3362 0.0000 O 0 0 0 0 0 0 0 0 0 22 23 1 0 0 0 12 13 1 0 0 0 23 24 2 0 0 0 2 4 1 0 0 0 24 25 1 0 0 0 12 14 1 0 0 0 24 26 1 0 0 0 25 15 1 0 0 0 13 10 1 0 0 0 8 5 1 0 0 0 7 8 1 0 0 0 3 27 1 0 0 0 11 15 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 7 9 1 0 0 0 29 30 1 0 0 0 16 17 1 0 0 0 29 31 1 0 0 0 1 5 1 0 0 0 16 18 1 0 0 0 6 10 1 0 0 0 17 19 2 0 0 0 2 3 1 0 0 0 19 20 1 0 0 0 1 2 2 0 0 0 19 21 1 0 0 0 11 12 2 0 0 0 20 22 1 0 0 0 6 7 2 0 0 0 18 32 2 0 0 0 18 33 1 0 0 0 32 34 1 0 0 0 32 35 1 0 0 0 33 36 2 0 0 0 34 37 2 0 0 0 34 38 1 0 0 0 36 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 39 42 2 0 0 0 36 37 1 0 0 0 S SKP 7 ID BMMCBZ4Ss017 NAME 3- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -4-hydroxy-5-methoxybenzoic acid CAS_RN 66551-60-8 FORMULA C38H56O4 EXACTMASS 576.41786028 AVERAGEMASS 576.8488400000001 SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(=CCCC(C)=CCc(c1O)cc(cc(OC)1)C(O)=O)C)C M END