Mol:FL3F2CGS0001
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 |
| − | -0.9528 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9528 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9528 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9528 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4490 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4490 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4490 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4490 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2518 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2518 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1500 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1500 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8508 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8508 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8508 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8508 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1500 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1500 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1500 -3.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1500 -3.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5515 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5515 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2660 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2660 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9804 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9804 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9804 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9804 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2660 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2660 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5515 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5515 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6697 -1.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6697 -1.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6946 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6946 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2579 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2579 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5307 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5307 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4033 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4033 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2135 -1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2135 -1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4905 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4905 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6180 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6180 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8076 -0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8076 -0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5805 0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5805 0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8423 0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8423 0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6946 -0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6946 -0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1435 -2.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1435 -2.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9682 3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9682 3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2134 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2134 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7419 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7419 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7419 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7419 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4968 1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4968 1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9682 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9682 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6124 4.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6124 4.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1130 3.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1130 3.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2823 1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2823 1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6573 -3.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6573 -3.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8557 -4.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8557 -4.3081 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 |
| − | 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 |
| − | 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 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 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 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 2 40 1 0 0 0 0 | + | 2 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 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 ^ OCH3 | + | M SMT 1 ^ OCH3 |
| − | M SBV 1 45 0.7045 0.5138 | + | M SBV 1 45 0.7045 0.5138 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL3F2CGS0001 | + | ID FL3F2CGS0001 |
| − | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
| − | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
| − | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
| − | SMILES C(c12)(C=C(c(c4)ccc(c4OC(O5)C(O)C(O)C(O)C5)O)Oc1cc(OC(O3)C(C(C(C3C)O)O)O)c(OC)c2)=O | + | SMILES C(c12)(C=C(c(c4)ccc(c4OC(O5)C(O)C(O)C(O)C5)O)Oc1cc(OC(O3)C(C(C(C3C)O)O)O)c(OC)c2)=O |
M END | M END | ||
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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
-0.9528 -1.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9528 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4490 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2518 -1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -2.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8508 -1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -1.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1500 -3.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5515 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2660 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9804 -1.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9804 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2660 -0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5515 -0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6697 -1.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6946 -0.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2579 0.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5307 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4033 -1.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2135 -1.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4905 -0.0546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6180 -0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8076 -0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5805 0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8423 0.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6946 -0.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1435 -2.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9682 3.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 2.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7419 2.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7419 0.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4968 1.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9682 2.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6124 4.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1130 3.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2823 1.2391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6573 -3.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8557 -4.3081 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
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
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
18 1 1 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
21 30 1 0 0 0 0
22 18 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 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
2 40 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 ^ OCH3
M SBV 1 45 0.7045 0.5138
S SKP 5
ID FL3F2CGS0001
FORMULA C27H30O14
EXACTMASS 578.163555668
AVERAGEMASS 578.5187000000001
SMILES C(c12)(C=C(c(c4)ccc(c4OC(O5)C(O)C(O)C(O)C5)O)Oc1cc(OC(O3)C(C(C(C3C)O)O)O)c(OC)c2)=O
M END
