Mol:FL5FALNS0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3616 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3616 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2276 -0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2276 -0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6716 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6716 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5376 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5376 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2769 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2769 1.6360 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 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -2.7769 0.77 | + | M SVB 4 28 -2.7769 0.77 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.0044 -0.6973 | + | M SVB 3 26 0.0044 -0.6973 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.0624 1.4543 | + | M SVB 2 24 2.0624 1.4543 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 1.7052 0.2661 | + | M SVB 1 22 1.7052 0.2661 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FALNS0013 | + | ID FL5FALNS0013 |
| − | KNApSAcK_ID C00004754 | + | KNApSAcK_ID C00004754 |
| − | NAME Chrysosplenol E | + | NAME Chrysosplenol E |
| − | CAS_RN 23289-81-8 | + | CAS_RN 23289-81-8 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(OC)(c1)c(OC)cc(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)O | + | SMILES c(OC)(c1)c(OC)cc(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2052 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 -0.0277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -0.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 1.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5376 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.6360 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
17 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -2.7769 0.77
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.0044 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0624 1.4543
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.7052 0.2661
S SKP 8
ID FL5FALNS0013
KNApSAcK_ID C00004754
NAME Chrysosplenol E
CAS_RN 23289-81-8
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(OC)(c1)c(OC)cc(c(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)1)O
M END
