Mol:FL5FCENI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4891 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4891 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4891 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4891 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9328 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9328 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3764 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3764 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3764 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3764 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9328 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9328 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1799 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7362 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1799 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1799 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2923 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2923 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8592 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8592 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4262 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4262 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4262 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4262 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8592 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8592 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2923 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2923 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9328 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9328 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0452 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0452 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6001 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6001 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1538 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1538 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7075 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7075 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1538 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1538 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8592 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8592 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2922 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2922 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8463 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8463 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3462 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3462 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9930 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9930 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7075 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7075 0.7145 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 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 2.993 1.127 | + | M SVB 2 30 2.993 1.127 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.8463 0.4428 | + | M SVB 1 28 -1.8463 0.4428 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCENI0002 | + | ID FL5FCENI0002 |
| − | KNApSAcK_ID C00005115 | + | KNApSAcK_ID C00005115 |
| − | NAME Isorhynchospermin | + | NAME Isorhynchospermin |
| − | CAS_RN 101770-13-2 | + | CAS_RN 101770-13-2 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)cc(c(OC)c1)O | + | SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)cc(c(OC)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4891 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4891 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3764 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7362 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1799 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2923 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4262 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4262 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2923 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9328 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0452 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6001 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7075 -0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8592 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2922 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8463 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3462 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9930 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7075 0.7145 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
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
16 24 1 0 0 0 0
8 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
15 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 2.993 1.127
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.8463 0.4428
S SKP 8
ID FL5FCENI0002
KNApSAcK_ID C00005115
NAME Isorhynchospermin
CAS_RN 101770-13-2
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(=C(C(=O)2)O)c(c1)cc(c(OC)c1)O
M END
