Mol:FL5FECGS0042
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8770 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8770 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8770 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8770 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1623 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1623 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5524 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5524 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5524 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5524 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1623 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1623 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2672 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2672 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9817 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9817 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9817 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9817 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2672 0.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2672 0.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2672 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2672 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8818 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8818 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6099 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6099 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3385 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3385 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3385 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3385 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6099 2.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6099 2.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8818 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8818 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1623 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1623 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1180 2.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1180 2.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6441 0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6441 0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7917 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7917 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5859 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5859 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2739 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2739 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0556 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0556 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2739 -0.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2739 -0.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5859 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5859 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8042 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8042 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6476 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6476 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7021 -2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7021 -2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2462 -3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2462 -3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5522 -2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5522 -2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1355 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1355 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4608 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4608 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6748 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6748 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4608 2.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4608 2.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1355 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1355 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9215 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9215 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9306 3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9306 3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5007 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5007 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5462 2.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5462 2.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8927 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8927 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6099 3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6099 3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5218 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5218 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5218 2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5218 2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.1180 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.1180 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5836 -0.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5836 -0.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6656 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6656 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 33 32 1 1 0 0 0 | + | 33 32 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 1 0 0 0 | + | 36 37 1 1 0 0 0 |
| − | 37 32 1 1 0 0 0 | + | 37 32 1 1 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 32 41 1 0 0 0 0 | + | 32 41 1 0 0 0 0 |
| − | 20 33 1 0 0 0 0 | + | 20 33 1 0 0 0 0 |
| − | 16 42 1 0 0 0 0 | + | 16 42 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 43 41 1 0 0 0 0 | + | 43 41 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 2 46 1 0 0 0 0 | + | 2 46 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 46 47 | + | M SAL 1 2 46 47 |
| − | M SBL 1 1 51 | + | M SBL 1 1 51 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 51 0.7067 0.4079 | + | M SBV 1 51 0.7067 0.4079 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FECGS0042 | + | ID FL5FECGS0042 |
| − | FORMULA C30H34O17 | + | FORMULA C30H34O17 |
| − | EXACTMASS 666.179599662 | + | EXACTMASS 666.179599662 |
| − | AVERAGEMASS 666.58076 | + | AVERAGEMASS 666.58076 |
| − | SMILES c(O)(c5O)ccc(c5)C(O2)=C(C(c(c(O)4)c(cc(c4OC)OC(C3OC(C)=O)OC(C)C(C(O)3)O)2)=O)OC(C1O)OC(C(C(O)1)O)C | + | SMILES c(O)(c5O)ccc(c5)C(O2)=C(C(c(c(O)4)c(cc(c4OC)OC(C3OC(C)=O)OC(C)C(C(O)3)O)2)=O)OC(C1O)OC(C(C(O)1)O)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-0.8770 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8770 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5524 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5524 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 0.9448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2672 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9817 -0.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9817 0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2672 0.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2672 -1.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8818 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6099 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3385 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6099 2.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8818 1.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 -1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 2.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6441 0.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7917 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5859 -2.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2739 -2.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0556 -1.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2739 -0.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5859 -0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8042 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6476 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7021 -2.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 -3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5522 -2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1355 1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4608 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6748 1.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4608 2.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1355 2.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9215 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9306 3.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5007 2.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5462 2.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8927 1.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6099 3.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5218 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5218 2.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1180 1.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5836 -0.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6656 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 1 0 0 0
37 32 1 1 0 0 0
36 38 1 0 0 0 0
35 39 1 0 0 0 0
37 40 1 0 0 0 0
32 41 1 0 0 0 0
20 33 1 0 0 0 0
16 42 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
43 41 1 0 0 0 0
46 47 1 0 0 0 0
2 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 46 47
M SBL 1 1 51
M SMT 1 ^OCH3
M SBV 1 51 0.7067 0.4079
S SKP 5
ID FL5FECGS0042
FORMULA C30H34O17
EXACTMASS 666.179599662
AVERAGEMASS 666.58076
SMILES c(O)(c5O)ccc(c5)C(O2)=C(C(c(c(O)4)c(cc(c4OC)OC(C3OC(C)=O)OC(C)C(C(O)3)O)2)=O)OC(C1O)OC(C(C(O)1)O)C
M END
