Mol:FLID2ANS0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3679 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3679 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3679 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3679 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8674 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8674 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3670 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3670 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3670 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3670 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8674 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8674 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 0.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1335 0.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.6339 0.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.6339 0.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.6339 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6339 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1335 1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1335 1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2536 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2536 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8283 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8283 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0634 -0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0634 -0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1680 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1680 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7427 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7427 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9777 -0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9777 -0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6381 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6381 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0823 -1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0823 -1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4281 -0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4281 -0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2336 0.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2336 0.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0823 0.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0823 0.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0676 0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0676 0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7251 1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7251 1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2251 2.3589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2251 2.3589 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 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 |
| − | 7 11 1 0 0 0 0 | + | 7 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 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 7 19 1 6 0 0 0 | + | 7 19 1 6 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.7251 1.4929 | + | M SVB 2 26 -1.7251 1.4929 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.0823 0.42 | + | M SVB 1 24 -2.0823 0.42 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2ANS0001 | + | ID FLID2ANS0001 |
| − | KNApSAcK_ID C00002574 | + | KNApSAcK_ID C00002574 |
| − | NAME (-)-Sparticarpin | + | NAME (-)-Sparticarpin |
| − | CAS_RN 73793-85-8 | + | CAS_RN 73793-85-8 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)c(OC)cc(c34)[C@]([H])(O1)[C@@]([H])(CO3)c(c2)c(cc(O)c2)1 | + | SMILES COc(c4)c(OC)cc(c34)[C@]([H])(O1)[C@@]([H])(CO3)c(c2)c(cc(O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.3679 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3679 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8674 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8674 1.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 0.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6339 0.2963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6339 0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1335 1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2536 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8283 -0.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0634 -0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1680 -1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7427 -1.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9777 -0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6381 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0823 -1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4281 -0.3168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 0.6425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0823 0.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0676 0.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7251 1.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2251 2.3589 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
12 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 13 1 0 0 0 0
18 15 1 0 0 0 0
7 19 1 6 0 0 0
8 20 1 6 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.7251 1.4929
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.0823 0.42
S SKP 8
ID FLID2ANS0001
KNApSAcK_ID C00002574
NAME (-)-Sparticarpin
CAS_RN 73793-85-8
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)c(OC)cc(c34)[C@]([H])(O1)[C@@]([H])(CO3)c(c2)c(cc(O)c2)1
M END
