Mol:FL1CRTNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0097 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0097 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0097 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0097 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5660 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5660 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1224 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1224 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1224 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1224 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5660 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5660 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7528 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7528 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3091 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3091 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1967 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1967 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3643 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3643 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1967 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1967 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3643 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3643 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9169 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9169 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4695 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4695 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4695 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4695 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9169 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9169 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0221 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0221 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5746 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5746 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0221 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0221 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1271 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1271 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6784 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6784 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1271 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1271 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6784 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6784 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6784 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6784 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1296 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1296 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8441 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8441 -0.8982 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 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 |
| − | 4 23 1 0 0 0 0 | + | 4 23 1 0 0 0 0 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -6.0125 3.9016 | + | M SBV 1 26 -6.0125 3.9016 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CRTNI0003 | + | ID FL1CRTNI0003 |
| − | KNApSAcK_ID C00007089 | + | KNApSAcK_ID C00007089 |
| − | NAME Licochalcone D | + | NAME Licochalcone D |
| − | CAS_RN 144506-15-0 | + | CAS_RN 144506-15-0 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c1O)c(C=CC(=O)c(c2)ccc(O)c2CC=C(C)C)ccc(O)1 | + | SMILES COc(c1O)c(C=CC(=O)c(c2)ccc(O)c2CC=C(C)C)ccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
2.0097 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0097 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1224 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1224 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 0.9596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7528 -0.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3091 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1967 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3643 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1967 -0.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3643 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4695 0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4695 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9169 -0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0221 0.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5746 0.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0221 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1271 -0.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6784 0.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1271 -0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6784 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6784 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 -0.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8441 -0.8982 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
14 17 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
18 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
4 23 1 0 0 0 0
5 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -6.0125 3.9016
S SKP 8
ID FL1CRTNI0003
KNApSAcK_ID C00007089
NAME Licochalcone D
CAS_RN 144506-15-0
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c1O)c(C=CC(=O)c(c2)ccc(O)c2CC=C(C)C)ccc(O)1
M END
