Mol:FL2FA9NI0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5764 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5764 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5072 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.5728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.5728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -0.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -0.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4717 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4717 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6498 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6498 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9336 0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9336 0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4335 0.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4335 0.9121 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -1.9336 0.046 | + | M SVB 2 28 -1.9336 0.046 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -1.5689 -1.5911 | + | M SVB 1 26 -1.5689 -1.5911 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0017 | + | ID FL2FA9NI0017 |
| − | KNApSAcK_ID C00008423 | + | KNApSAcK_ID C00008423 |
| − | NAME Quercetol C | + | NAME Quercetol C |
| − | CAS_RN 119061-08-4 | + | CAS_RN 119061-08-4 |
| − | FORMULA C22H24O5 | + | FORMULA C22H24O5 |
| − | EXACTMASS 368.162373878 | + | EXACTMASS 368.162373878 |
| − | AVERAGEMASS 368.42296000000005 | + | AVERAGEMASS 368.42296000000005 |
| − | SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O | + | SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.5764 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -1.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.5728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0137 -0.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.6293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 2.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4717 -1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6498 -1.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 0.9121 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
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
5 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -1.9336 0.046
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.5689 -1.5911
S SKP 8
ID FL2FA9NI0017
KNApSAcK_ID C00008423
NAME Quercetol C
CAS_RN 119061-08-4
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)C2)c1C=CC(C)(C)O
M END
