Mol:FL2F29NP0001
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 |
| − | -1.4013 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2887 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2887 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8239 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8239 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8239 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8239 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3800 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3800 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9469 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9469 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5139 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5139 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5139 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5139 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9469 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9469 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3800 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3800 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2676 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2676 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8450 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8450 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3897 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3897 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9582 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9582 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9574 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9574 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2629 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2629 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5139 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5139 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1158 -0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1158 -0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4013 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4013 -0.9480 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 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 -6.0923 4.2937 | + | M SBV 1 27 -6.0923 4.2937 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F29NP0001 | + | ID FL2F29NP0001 |
| − | KNApSAcK_ID C00008134 | + | KNApSAcK_ID C00008134 |
| − | NAME Ovalichromene | + | NAME Ovalichromene |
| − | CAS_RN 61670-30-2 | + | CAS_RN 61670-30-2 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C | + | SMILES c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C |
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
-1.4013 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2887 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -0.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8239 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 0.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 0.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5139 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 1.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2676 -1.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3897 1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9574 0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2629 1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1158 -0.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4013 -0.9480 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 20 1 0 0 0 0
20 22 1 0 0 0 0
20 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 -6.0923 4.2937
S SKP 8
ID FL2F29NP0001
KNApSAcK_ID C00008134
NAME Ovalichromene
CAS_RN 61670-30-2
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c23)(C=1)c(c(OC)cc2C(=O)CC(c(c4)cccc4)O3)OC(C1)(C)C
M END
