Mol:FL5FECGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9173 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9173 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9173 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9173 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8047 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8047 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8047 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8047 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3079 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3079 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3079 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3079 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 -0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 -0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8640 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8640 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4309 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4309 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9979 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9979 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9979 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9979 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4309 1.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4309 1.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8640 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8640 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4734 0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4734 0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7020 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7020 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 -0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 -0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6318 1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6318 1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4309 2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4309 2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3876 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3876 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0158 -2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0158 -2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8165 -1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8165 -1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0158 -0.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0158 -0.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3876 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3876 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5869 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5869 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3572 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3572 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5490 -2.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5490 -2.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8643 -2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8643 -2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4367 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4367 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6318 0.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6318 0.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9173 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9173 -0.3124 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 36 -8.4439 5.1150 | + | M SBV 1 36 -8.4439 5.1150 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0006 | + | ID FL5FECGS0006 |
| − | KNApSAcK_ID C00005640 | + | KNApSAcK_ID C00005640 |
| − | NAME Patuletin 3-rhamnoside | + | NAME Patuletin 3-rhamnoside |
| − | CAS_RN 60048-92-2 | + | CAS_RN 60048-92-2 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES OC(C1OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c2O3)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O | + | SMILES OC(C1OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c2O3)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.9173 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 0.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 0.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 -0.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4309 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 0.9721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4309 1.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8640 1.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4734 0.9721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7020 -0.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 -0.9546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6318 1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4309 2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3876 -1.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 -2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8165 -1.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 -0.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3876 -0.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5869 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3572 -0.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5490 -2.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8643 -2.6086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4367 -1.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6318 0.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 -0.3124 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 1 0 0 0 0
16 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 19 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 ^OCH3
M SBV 1 36 -8.4439 5.1150
S SKP 8
ID FL5FECGS0006
KNApSAcK_ID C00005640
NAME Patuletin 3-rhamnoside
CAS_RN 60048-92-2
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C1OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c2O3)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O
M END
