Mol:FL1B19NF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2147 -1.5785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2147 -1.5785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2247 0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2247 0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1909 -2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1909 -2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8667 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8667 -1.5896 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 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 7 22 1 0 0 0 0 | + | 7 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -0.5768 -0.8761 | + | M SVB 2 25 -0.5768 -0.8761 |
| − | 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 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 0.959 -0.0978 | + | M SVB 1 23 0.959 -0.0978 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1B19NF0002 | + | ID FL1B19NF0002 |
| − | KNApSAcK_ID C00008073 | + | KNApSAcK_ID C00008073 |
| − | NAME Castillene B | + | NAME Castillene B |
| − | CAS_RN 126585-61-3 | + | CAS_RN 126585-61-3 |
| − | FORMULA C19H18O4 | + | FORMULA C19H18O4 |
| − | EXACTMASS 310.120509064 | + | EXACTMASS 310.120509064 |
| − | AVERAGEMASS 310.34382 | + | AVERAGEMASS 310.34382 |
| − | SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)OC)OC)c(c1)cccc1 | + | SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)OC)OC)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-0.2937 -1.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7530 -1.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3164 -1.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4205 -2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9612 -2.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3978 -2.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2147 -1.5785 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0696 -0.9967 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.5284 -0.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6935 -1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0797 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3709 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 -1.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2445 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9533 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3709 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8457 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -1.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0142 -2.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5819 -0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2247 0.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1909 -2.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8667 -1.5896 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
8 20 1 0 0 0 0
20 21 1 0 0 0 0
7 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -0.5768 -0.8761
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 0.959 -0.0978
S SKP 8
ID FL1B19NF0002
KNApSAcK_ID C00008073
NAME Castillene B
CAS_RN 126585-61-3
FORMULA C19H18O4
EXACTMASS 310.120509064
AVERAGEMASS 310.34382
SMILES C(C(O4)(C(c(c43)ccc(c32)occ2)OC)OC)c(c1)cccc1
M END
