Mol:FL2FABGS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0205 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0205 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4996 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4996 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0213 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0213 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0213 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0213 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4996 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4996 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0205 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0205 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0630 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0630 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0630 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0630 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5422 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5422 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4996 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4996 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5272 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5272 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6427 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6427 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1715 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1715 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7002 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7002 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7002 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7002 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1715 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1715 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6427 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6427 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7084 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7084 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2881 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2881 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6828 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6828 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0519 -0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0519 -0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5232 0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5232 0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1415 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1415 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7084 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7084 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9434 -0.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9434 -0.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3360 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3360 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9022 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9022 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1877 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1877 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2289 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2289 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9434 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9434 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -5.6916 5.6420 | + | M SBV 1 32 -5.6916 5.6420 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 34 -5.4021 5.3966 | + | M SBV 2 34 -5.4021 5.3966 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABGS0008 | + | ID FL2FABGS0008 |
| − | KNApSAcK_ID C00008435 | + | KNApSAcK_ID C00008435 |
| − | NAME Puddumin B | + | NAME Puddumin B |
| − | CAS_RN 28585-70-8 | + | CAS_RN 28585-70-8 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(CC3=O)c(c2)ccc(OC)c2)CO)O)O | + | SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(CC3=O)c(c2)ccc(OC)c2)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.0205 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0213 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0213 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0205 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0630 0.1439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 0.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5422 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4996 -1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5272 0.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6427 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 0.1381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7002 0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7002 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 1.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6427 1.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7084 0.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2881 -0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6828 -0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0519 -0.0898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5232 0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1415 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7084 0.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9434 -0.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3360 -0.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9022 0.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1877 0.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2289 1.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9434 0.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 13 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 CH2OH
M SBV 1 32 -5.6916 5.6420
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SBV 2 34 -5.4021 5.3966
S SKP 8
ID FL2FABGS0008
KNApSAcK_ID C00008435
NAME Puddumin B
CAS_RN 28585-70-8
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(CC3=O)c(c2)ccc(OC)c2)CO)O)O
M END
