Mol:FL5FPTNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4399 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4399 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9023 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9023 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5983 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8838 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.8121 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 13 1 0 0 0 0 | + | 22 13 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 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 |
| − | 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 27 -9.0704 4.4090 | + | M SBV 1 27 -9.0704 4.4090 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FPTNS0002 | + | ID FL5FPTNS0002 |
| − | KNApSAcK_ID C00005108 | + | KNApSAcK_ID C00005108 |
| − | NAME Benthamianin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one | + | NAME Benthamianin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one |
| − | CAS_RN 53766-41-9 | + | CAS_RN 53766-41-9 |
| − | FORMULA C17H12O8 | + | FORMULA C17H12O8 |
| − | EXACTMASS 344.05321735999996 | + | EXACTMASS 344.05321735999996 |
| − | AVERAGEMASS 344.27238 | + | AVERAGEMASS 344.27238 |
| − | SMILES COc(c(O)4)c(O)c(C(=O)1)c(c4)OC(c32)=C(OCc(c(O)c(O)cc3)2)1 | + | SMILES COc(c(O)4)c(O)c(C(=O)1)c(c4)OC(c32)=C(OCc(c(O)c(O)cc3)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.8838 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9023 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8121 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
8 21 1 0 0 0 0
21 22 1 0 0 0 0
22 13 1 0 0 0 0
14 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 ^OCH3
M SBV 1 27 -9.0704 4.4090
S SKP 8
ID FL5FPTNS0002
KNApSAcK_ID C00005108
NAME Benthamianin;3,4,8,10-Tetrahydroxy-9-methoxy-[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
CAS_RN 53766-41-9
FORMULA C17H12O8
EXACTMASS 344.05321735999996
AVERAGEMASS 344.27238
SMILES COc(c(O)4)c(O)c(C(=O)1)c(c4)OC(c32)=C(OCc(c(O)c(O)cc3)2)1
M END
