Mol:FL1C1AGS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.6173 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6173 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6173 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6173 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5093 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5093 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5093 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5093 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9556 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9556 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4031 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4031 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8517 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8517 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7752 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7752 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7752 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7752 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2368 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2368 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3016 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3016 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9556 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9556 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1693 0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1693 0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0633 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0633 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1710 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1710 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2439 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2439 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9431 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9431 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5216 -0.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5216 -0.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1036 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1036 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4045 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4045 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8259 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8259 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6852 -0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6852 -0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0641 0.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0641 0.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9876 -0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9876 -0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3962 -0.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3962 -0.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4565 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4565 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1710 -0.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1710 -0.7940 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 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -4.5802 5.5544 | + | M SBV 1 32 -4.5802 5.5544 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1AGS0007 | + | ID FL1C1AGS0007 |
| − | KNApSAcK_ID C00007189 | + | KNApSAcK_ID C00007189 |
| − | NAME Monospermoside | + | NAME Monospermoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2OC(O3)C(O)C(O)C(O)C3CO)c1 | + | SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2OC(O3)C(O)C(O)C(O)C3CO)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-3.6173 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6173 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5093 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4031 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8517 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2368 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1693 0.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0633 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1710 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9431 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 -0.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1036 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4045 0.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 -0.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6852 -0.0369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0641 0.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9876 -0.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3962 -0.2617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4565 -0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1710 -0.7940 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
21 29 1 0 0 0 0
12 29 1 0 0 0 0
23 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 CH2OH
M SBV 1 32 -4.5802 5.5544
S SKP 8
ID FL1C1AGS0007
KNApSAcK_ID C00007189
NAME Monospermoside
CAS_RN -
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES Oc(c1)cc(O)c(C(=O)C=Cc(c2)ccc(O)c2OC(O3)C(O)C(O)C(O)C3CO)c1
M END
