Mol:FL1C1CGS0004
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.6173 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6173 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6173 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6173 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5093 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5093 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5093 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5093 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9556 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9556 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4031 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4031 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8517 -0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8517 -0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7752 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7752 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7752 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7752 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9556 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9556 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1693 0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1693 0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 -1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 -1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1710 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1710 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2439 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2439 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9431 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9431 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5216 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5216 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1036 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1036 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4045 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4045 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8259 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8259 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6852 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6852 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0641 1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0641 1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9876 0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9876 0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0520 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0520 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7665 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7665 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4565 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4565 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1710 0.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1710 0.0522 0.0000 O 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 17 13 1 0 0 0 0 | + | 17 13 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 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 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 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 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -4.6563 5.1187 | + | M SBV 1 31 -4.6563 5.1187 |
| − | 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 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SBV 2 33 -4.5802 5.3075 | + | M SBV 2 33 -4.5802 5.3075 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1CGS0004 | + | ID FL1C1CGS0004 |
| − | KNApSAcK_ID C00007221 | + | KNApSAcK_ID C00007221 |
| − | NAME Homobutein 4-glucoside | + | NAME Homobutein 4-glucoside |
| − | CAS_RN 146-80-5 | + | CAS_RN 146-80-5 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES Oc(c(C(C=Cc(c3)cc(c(c3)OC(C(O)2)OC(CO)C(C2O)O)OC)=O)1)cc(O)cc1 | + | SMILES Oc(c(C(C=Cc(c3)cc(c(c3)OC(C(O)2)OC(CO)C(C2O)O)OC)=O)1)cc(O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-3.6173 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6173 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 0.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 -0.5668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 -0.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 -0.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 0.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 -1.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1710 0.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9431 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 0.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 0.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 0.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6852 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0641 1.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9876 0.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0520 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7665 -0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4565 0.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1710 0.0522 0.0000 O 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
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 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
17 13 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
25 27 1 0 0 0 0
24 28 1 0 0 0 0
17 21 1 0 0 0 0
12 29 1 0 0 0 0
29 30 1 0 0 0 0
23 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 31
M SMT 1 OCH3
M SBV 1 31 -4.6563 5.1187
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 33
M SMT 2 CH2OH
M SBV 2 33 -4.5802 5.3075
S SKP 8
ID FL1C1CGS0004
KNApSAcK_ID C00007221
NAME Homobutein 4-glucoside
CAS_RN 146-80-5
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES Oc(c(C(C=Cc(c3)cc(c(c3)OC(C(O)2)OC(CO)C(C2O)O)OC)=O)1)cc(O)cc1
M END
