Mol:FL7ACIGL0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5025 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5025 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5025 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5025 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7881 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7881 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0736 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0736 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0736 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0736 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7881 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7881 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3554 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3554 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3554 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3554 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3591 1.0943 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.3591 1.0943 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1214 1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1214 1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0213 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0213 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7358 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7358 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4503 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4503 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7358 2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7358 2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0213 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0213 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0844 2.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0844 2.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7881 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7881 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0089 -0.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0089 -0.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1085 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1085 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7358 3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7358 3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3672 3.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3672 3.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7553 1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7553 1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7553 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7553 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0576 -2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0576 -2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7676 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7676 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9765 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9765 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5630 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5630 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7378 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7378 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5288 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5288 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0588 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0588 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5354 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5354 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1268 -3.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1268 -3.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3219 -2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3219 -2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4503 -2.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4503 -2.3865 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 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 12 9 1 0 0 0 0 | + | 12 9 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 11 25 1 0 0 0 0 | + | 11 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 29 28 1 1 0 0 0 | + | 29 28 1 1 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 26 34 1 0 0 0 0 | + | 26 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ACIGL0003 | + | ID FL7ACIGL0003 |
| − | KNApSAcK_ID C00014876 | + | KNApSAcK_ID C00014876 |
| − | NAME Hirsutidin 3-glucoside | + | NAME Hirsutidin 3-glucoside |
| − | CAS_RN 89418-84-8 | + | CAS_RN 89418-84-8 |
| − | FORMULA C24H27O12 | + | FORMULA C24H27O12 |
| − | EXACTMASS 507.150251328 | + | EXACTMASS 507.150251328 |
| − | AVERAGEMASS 507.46398 | + | AVERAGEMASS 507.46398 |
| − | SMILES c(c1)(c(c(cc1c(c3OC(C4O)OC(CO)C(O)C4O)[o+1]c(c2c3)cc(cc2O)OC)OC)O)OC | + | SMILES c(c1)(c(c(cc1c(c3OC(C4O)OC(CO)C(O)C4O)[o+1]c(c2c3)cc(cc2O)OC)OC)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.5025 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5025 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7881 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0736 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0736 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7881 1.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 -0.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 -0.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3554 0.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3591 1.0943 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
-3.1214 1.0391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0213 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7358 0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 1.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4503 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7358 2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0213 1.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0844 2.2574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7881 -1.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0089 -0.5206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1085 0.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7358 3.0248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3672 3.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7553 1.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7553 0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0576 -2.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7676 -2.7218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9765 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5630 -1.3429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7378 -1.3523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5288 -2.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0588 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5354 -2.2831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1268 -3.3893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3219 -2.9860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4503 -2.3865 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
1 11 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 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
12 9 1 0 0 0 0
8 20 1 0 0 0 0
14 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
21 24 1 0 0 0 0
11 25 1 0 0 0 0
26 27 1 1 0 0 0
27 28 1 1 0 0 0
29 28 1 1 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 26 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
26 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 20 1 0 0 0 0
S SKP 8
ID FL7ACIGL0003
KNApSAcK_ID C00014876
NAME Hirsutidin 3-glucoside
CAS_RN 89418-84-8
FORMULA C24H27O12
EXACTMASS 507.150251328
AVERAGEMASS 507.46398
SMILES c(c1)(c(c(cc1c(c3OC(C4O)OC(CO)C(O)C4O)[o+1]c(c2c3)cc(cc2O)OC)OC)O)OC
M END
