Mol:FL1B1CNF0001
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 26 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.6090 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6090 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0682 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0682 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6317 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6317 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7358 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7358 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2765 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2765 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7131 -2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7131 -2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1005 -1.3620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1005 -1.3620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2456 -0.7802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2456 -0.7802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.8437 -0.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8437 -0.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3782 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3782 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7644 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7644 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0556 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0556 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6380 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6380 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9292 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9292 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6380 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6380 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0556 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0556 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1610 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1610 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5923 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5923 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3295 -2.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3295 -2.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0277 -1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0277 -1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5597 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5597 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4989 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4989 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1244 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1244 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2666 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2666 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9094 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9094 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 4 1 0 0 0 0 | + | 19 4 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 14 1 0 0 0 0 | + | 22 14 1 0 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 0.6438 0.1186 | + | M SVB 2 29 0.6438 0.1186 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -0.8921 -0.6597 | + | M SVB 1 27 -0.8921 -0.6597 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1B1CNF0001 | + | ID FL1B1CNF0001 |
| − | KNApSAcK_ID C00008074 | + | KNApSAcK_ID C00008074 |
| − | NAME Castillene C | + | NAME Castillene C |
| − | CAS_RN 126585-62-4 | + | CAS_RN 126585-62-4 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES C(Cc(c5)cc(c(c5)4)OCO4)(C(OC)3)(OC)Oc(c32)c(c1cc2)cco1 | + | SMILES C(Cc(c5)cc(c(c5)4)OCO4)(C(OC)3)(OC)Oc(c32)c(c1cc2)cco1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 30 0 0 0 0 0 0 0 0999 V2000
-0.6090 -1.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 -1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6317 -1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7358 -2.0899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2765 -2.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7131 -2.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1005 -1.3620 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2456 -0.7802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.8437 -0.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -0.8901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7644 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0556 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6380 -0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9292 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6380 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0556 0.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5923 -1.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3295 -2.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0277 -1.3672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -1.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4989 -0.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1244 -1.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 -1.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2666 -0.1698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9094 0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 2 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 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 11 1 0 0 0 0
3 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 4 1 0 0 0 0
13 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 14 1 0 0 0 0
7 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.6438 0.1186
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -0.8921 -0.6597
S SKP 8
ID FL1B1CNF0001
KNApSAcK_ID C00008074
NAME Castillene C
CAS_RN 126585-62-4
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES C(Cc(c5)cc(c(c5)4)OCO4)(C(OC)3)(OC)Oc(c32)c(c1cc2)cco1
M END
