Mol:FL3FACCS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2251 0.7287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2251 0.7287 0.0000 O 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 9 1 0 0 0 0 | + | 23 9 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 31 1 0 0 0 0 | + | 35 31 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 34 21 1 0 0 0 0 | + | 34 21 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 31 38 1 0 0 0 0 | + | 31 38 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 18 40 1 0 0 0 0 | + | 18 40 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 38 39 | + | M SAL 1 2 38 39 |
| − | M SBL 1 1 43 | + | M SBL 1 1 43 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 43 0.0000 0.9902 | + | M SBV 1 43 0.0000 0.9902 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 40 41 | + | M SAL 2 2 40 41 |
| − | M SBL 2 1 45 | + | M SBL 2 1 45 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 45 -0.8942 -0.2669 | + | M SBV 2 45 -0.8942 -0.2669 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3FACCS0013 | + | ID FL3FACCS0013 |
| − | FORMULA C26H28O15 | + | FORMULA C26H28O15 |
| − | EXACTMASS 580.1428202259999 | + | EXACTMASS 580.1428202259999 |
| − | AVERAGEMASS 580.49152 | + | AVERAGEMASS 580.49152 |
| − | SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1 | + | SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
41 45 0 0 0 0 0 0 0 0999 V2000
-1.7557 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7557 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3268 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -2.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -1.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1020 -0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3876 -0.4572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3890 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4698 -0.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4649 2.0576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 1.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0434 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 0.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1988 1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5275 2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2095 2.7005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5967 0.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 -2.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8957 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 -0.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4014 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4014 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6485 0.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8957 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1538 -0.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6283 1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9773 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 0.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5962 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6727 1.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9773 1.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1846 0.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6283 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1538 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6954 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2251 0.7287 0.0000 O 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
3 4 1 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
23 9 1 0 0 0 0
26 29 1 0 0 0 0
25 30 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 31 1 0 0 0 0
32 36 1 0 0 0 0
33 37 1 0 0 0 0
34 21 1 0 0 0 0
38 39 1 0 0 0 0
31 38 1 0 0 0 0
40 41 1 0 0 0 0
18 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 43
M SMT 1 CH2OH
M SBV 1 43 0.0000 0.9902
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 40 41
M SBL 2 1 45
M SMT 2 CH2OH
M SBV 2 45 -0.8942 -0.2669
S SKP 5
ID FL3FACCS0013
FORMULA C26H28O15
EXACTMASS 580.1428202259999
AVERAGEMASS 580.49152
SMILES C(O)C(C(O)1)OC(OC(C(O)2)C(c(c34)c(cc(c3C(C=C(c(c5)ccc(O)c5O)O4)=O)O)O)OC(C2O)CO)C(O)1
M END
