Mol:FLIE2CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.5931 1.3062 | + | M SVB 1 27 -2.5931 1.3062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE2CNS0001 | + | ID FLIE2CNS0001 |
| − | KNApSAcK_ID C00009769 | + | KNApSAcK_ID C00009769 |
| − | NAME 2-Hydroxyflemichapparin C;2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan | + | NAME 2-Hydroxyflemichapparin C;2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan |
| − | CAS_RN 35930-39-3 | + | CAS_RN 35930-39-3 |
| − | FORMULA C17H10O7 | + | FORMULA C17H10O7 |
| − | EXACTMASS 326.042652674 | + | EXACTMASS 326.042652674 |
| − | AVERAGEMASS 326.2571 | + | AVERAGEMASS 326.2571 |
| − | SMILES COc(c5)c(O)cc(c54)c(o1)c(C(=O)O4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES COc(c5)c(O)cc(c54)c(o1)c(C(=O)O4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.2358 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2358 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1232 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0106 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5669 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7350 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1403 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5611 -0.9626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7919 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3882 -0.0638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7919 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5931 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0931 2.1722 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
9 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
2 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.5931 1.3062
S SKP 8
ID FLIE2CNS0001
KNApSAcK_ID C00009769
NAME 2-Hydroxyflemichapparin C;2-Hydroxy-3-methoxy-8,9-methylenedioxycoumestan
CAS_RN 35930-39-3
FORMULA C17H10O7
EXACTMASS 326.042652674
AVERAGEMASS 326.2571
SMILES COc(c5)c(O)cc(c54)c(o1)c(C(=O)O4)c(c2)c(cc(O3)c(OC3)2)1
M END
