Mol:FL5FAAGP0001
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 40 0 0 0 0 0 0 0 0999 V2000 | + | 36 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8663 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8663 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8663 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8663 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3100 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3100 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7537 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7537 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7537 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7537 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3100 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3100 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1974 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1974 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3589 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3589 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3589 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3589 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1974 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1974 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1974 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1974 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9150 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9150 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4819 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4819 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0489 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0489 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0489 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0489 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4819 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4819 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9150 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9150 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3100 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3100 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9150 -0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9150 -0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8426 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8426 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9749 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9749 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6031 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6031 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4037 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4037 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6031 -0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6031 -0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9749 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9749 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1741 -0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1741 -0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9445 -0.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9445 -0.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 -1.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 -1.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4515 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4515 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0240 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0240 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3100 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3100 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8383 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8383 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3667 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3667 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3667 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3667 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8473 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8473 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0240 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0240 1.7314 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 1 1 0 0 0 0 | + | 34 1 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGP0001 | + | ID FL5FAAGP0001 |
| − | KNApSAcK_ID C00005836 | + | KNApSAcK_ID C00005836 |
| − | NAME Ikarisoside E | + | NAME Ikarisoside E |
| − | CAS_RN 113558-13-7 | + | CAS_RN 113558-13-7 |
| − | FORMULA C26H26O10 | + | FORMULA C26H26O10 |
| − | EXACTMASS 498.152597052 | + | EXACTMASS 498.152597052 |
| − | AVERAGEMASS 498.4786399999999 | + | AVERAGEMASS 498.4786399999999 |
| − | SMILES O(C(C)1)C(OC(=C4c(c5)ccc(O)c5)C(c(c2O)c(O4)c(C=3)c(OC(C3)(C)C)c2)=O)C(O)C(O)C1O | + | SMILES O(C(C)1)C(OC(=C4c(c5)ccc(O)c5)C(c(c2O)c(O4)c(C=3)c(OC(C3)(C)C)c2)=O)C(O)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 40 0 0 0 0 0 0 0 0999 V2000
-1.8663 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3100 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7537 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7537 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3100 1.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 0.1578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3589 0.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1974 -0.6642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 0.7939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0489 1.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0489 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4819 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 1.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3100 -0.8055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9150 -0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8426 2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9749 -1.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4037 -0.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6031 -0.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9749 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1741 -0.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9445 -0.5819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 -1.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4515 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0240 -1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3100 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8383 2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 1.7314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3667 1.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8473 2.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0240 1.7314 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
8 19 1 0 0 0 0
20 15 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 1 0 0 0 0
6 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 1 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 0 0 0 0
S SKP 8
ID FL5FAAGP0001
KNApSAcK_ID C00005836
NAME Ikarisoside E
CAS_RN 113558-13-7
FORMULA C26H26O10
EXACTMASS 498.152597052
AVERAGEMASS 498.4786399999999
SMILES O(C(C)1)C(OC(=C4c(c5)ccc(O)c5)C(c(c2O)c(O4)c(C=3)c(OC(C3)(C)C)c2)=O)C(O)C(O)C1O
M END
