Mol:FL5FDCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3941 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3941 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3941 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3941 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8378 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8378 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2815 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2815 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2815 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2815 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8378 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8378 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2748 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2748 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8311 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8311 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8311 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8311 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2748 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2748 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2748 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2748 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3872 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3872 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9542 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9542 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5211 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5211 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5211 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5211 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9542 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9542 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3872 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3872 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0879 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0879 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9504 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9504 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5067 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5067 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5067 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5067 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9504 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9504 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9542 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9542 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9424 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9424 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0879 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0879 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8378 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8378 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6971 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6971 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5632 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5632 -1.8182 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 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 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 1.0299 -1.0246 | + | M SVB 1 30 1.0299 -1.0246 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDCNP0001 | + | ID FL5FDCNP0001 |
| − | KNApSAcK_ID C00005080 | + | KNApSAcK_ID C00005080 |
| − | NAME Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 149415-60-1 | + | CAS_RN 149415-60-1 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES COC(C4=O)=C(Oc(c42)cc(O3)c(C=CC(C)(C)3)c2O)c(c1)cc(c(O)c1)O | + | SMILES COC(C4=O)=C(Oc(c42)cc(O3)c(C=CC(C)(C)3)c2O)c(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.3941 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3941 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8378 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2815 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2815 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8378 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8311 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2748 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5211 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5211 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3872 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0879 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9504 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5067 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9504 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9542 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9424 0.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0879 -0.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8378 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6971 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5632 -1.8182 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
16 23 1 0 0 0 0
20 24 1 0 0 0 0
20 25 1 0 0 0 0
3 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 1.0299 -1.0246
S SKP 8
ID FL5FDCNP0001
KNApSAcK_ID C00005080
NAME Sarothranol;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 149415-60-1
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES COC(C4=O)=C(Oc(c42)cc(O3)c(C=CC(C)(C)3)c2O)c(c1)cc(c(O)c1)O
M END
