Mol:Hopyl cation
From Metabolomics.JP
(Difference between revisions)
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| Line 21: | Line 21: | ||
29.9644 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 29.9644 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
28.8124 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 28.8124 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | + | 28.8451 -5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| − | 30. | + | 30.9437 -5.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 30. | + | 30.9750 -6.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
32.4741 -6.6676 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 | 32.4741 -6.6676 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 | ||
22.3448 -12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 22.3448 -12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| Line 73: | Line 73: | ||
EXACTMASS 411.399076632 | EXACTMASS 411.399076632 | ||
AVERAGEMASS 411.72594000000004 | AVERAGEMASS 411.72594000000004 | ||
| − | SMILES C( | + | SMILES C(C5)([C+1](C)C)C(C(C5)(C)4)CCC(C43)(C(C1CC3)(CCC(C2(C)C)C(CCC2)(C)1)C)C |
M END | M END | ||
Latest revision as of 22:38, 9 August 2010
Copyright: ARM project http://www.metabolomics.jp/ 30 34 0 0 1 0 0 0 0 0 32 V2000 23.0532 -8.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9014 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9014 -10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0532 -11.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2051 -10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3569 -11.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5088 -10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5088 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3569 -8.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2051 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3570 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5088 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6607 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6607 -8.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8124 -9.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9644 -8.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9644 -7.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8124 -6.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8451 -5.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9437 -5.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9750 -6.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4741 -6.6676 0.0000 C 0 3 0 0 0 0 0 0 0 0 0 0 22.3448 -12.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8948 -12.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2059 -7.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5112 -8.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6639 -9.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8165 -8.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1382 -5.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1400 -7.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 30 1 0 0 0 0 22 29 1 0 0 0 0 1 10 1 0 0 0 0 4 5 1 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 3 2 1 0 0 0 0 7 8 1 0 0 0 0 6 7 1 0 0 0 0 10 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 12 13 1 0 0 0 0 8 14 1 0 0 0 0 11 12 1 0 0 0 0 9 8 1 0 0 0 0 9 11 1 0 0 0 0 16 17 1 0 0 0 0 15 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 13 1 0 0 0 0 4 24 1 6 0 0 0 4 23 1 1 0 0 0 10 25 1 1 0 0 0 8 26 1 1 0 0 0 14 27 1 6 0 0 0 18 28 1 6 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 S SKP 6 AUTODRAW false ID Hopyl cation FORMULA C30H51 EXACTMASS 411.399076632 AVERAGEMASS 411.72594000000004 SMILES C(C5)([C+1](C)C)C(C(C5)(C)4)CCC(C43)(C(C1CC3)(CCC(C2(C)C)C(CCC2)(C)1)C)C M END
