Mol:Transtrans-FPP
From Metabolomics.JP
(Difference between revisions)
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| Line 19: | Line 19: | ||
18.5481 -10.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 18.5481 -10.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
29.4476 -6.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | 29.4476 -6.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | 31.8724 -7.8400 0.0000 | + | 31.8724 -7.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
1 2 1 0 0 0 | 1 2 1 0 0 0 | ||
2 3 2 0 0 0 | 2 3 2 0 0 0 | ||
| Line 36: | Line 36: | ||
2 16 1 0 0 0 | 2 16 1 0 0 0 | ||
1 17 1 0 0 0 | 1 17 1 0 0 0 | ||
| − | V 17 OPP | + | V 17 "OPP" |
S SKP 6 | S SKP 6 | ||
AUTODRAW FALSE | AUTODRAW FALSE | ||
ID Transtrans-FPP | ID Transtrans-FPP | ||
| − | FORMULA | + | FORMULA C15H26O |
| − | EXACTMASS | + | EXACTMASS 222.198365454 |
| − | AVERAGEMASS | + | AVERAGEMASS 222.36634 |
| − | SMILES [H] | + | SMILES OCC([H])=C(C)CCC=C(C)CCC=C(C)C |
M END | M END | ||
Revision as of 10:58, 22 July 2014
17 16 0 0 0 0 0 0 0 0999 V2000 30.6600 -8.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4476 -7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2351 -8.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2351 -9.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0227 -7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8227 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6103 -7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3979 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3979 -10.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1854 -7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9730 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7606 -7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5481 -8.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3357 -7.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5481 -10.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4476 -6.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.8724 -7.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 2 16 1 0 0 0 1 17 1 0 0 0 V 17 "OPP" S SKP 6 AUTODRAW FALSE ID Transtrans-FPP FORMULA C15H26O EXACTMASS 222.198365454 AVERAGEMASS 222.36634 SMILES OCC([H])=C(C)CCC=C(C)CCC=C(C)C M END
