Mol:FL1BBANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0145 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0145 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0145 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0145 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5337 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5337 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0529 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0529 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0529 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0529 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5337 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5337 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4443 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4443 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0919 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0919 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4443 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4443 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5721 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5721 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3282 -0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3282 -0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3733 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3733 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2249 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2249 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8257 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8257 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1169 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1169 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6993 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6993 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9905 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9905 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6993 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6993 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1169 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1169 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5721 -0.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5721 -0.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9886 -0.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9886 -0.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2741 -0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2741 -0.8807 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 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -10.2102 5.5034 | + | M SBV 1 23 -10.2102 5.5034 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1BBANS0001 | + | ID FL1BBANS0001 |
| − | KNApSAcK_ID C00008067 | + | KNApSAcK_ID C00008067 |
| − | NAME Carpusin | + | NAME Carpusin |
| − | CAS_RN 87582-99-8 | + | CAS_RN 87582-99-8 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)c(c(cc(O)3)1)C(=O)C(O)(Cc(c2)ccc(O)c2)O1 | + | SMILES COc(c3)c(c(cc(O)3)1)C(=O)C(O)(Cc(c2)ccc(O)c2)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-1.0145 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0145 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 0.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0529 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5337 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 -0.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0919 0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4443 0.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 0.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3282 -0.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3733 0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2249 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8257 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 -0.7718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 -0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6993 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1169 0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5721 -0.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9886 -0.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2741 -0.8807 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
4 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
8 13 1 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -10.2102 5.5034
S SKP 8
ID FL1BBANS0001
KNApSAcK_ID C00008067
NAME Carpusin
CAS_RN 87582-99-8
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)c(c(cc(O)3)1)C(=O)C(O)(Cc(c2)ccc(O)c2)O1
M END
