Mol:FL2FALNI0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 40 0 0 0 0 0 0 0 0999 V2000 | + | 38 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4212 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3794 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3794 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3794 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3794 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1415 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1415 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6624 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6624 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6624 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6624 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1415 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1415 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1827 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1827 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1415 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1415 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7171 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7171 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2515 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2515 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2515 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2515 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7171 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7171 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1827 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1827 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9003 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9421 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9421 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4155 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4155 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4619 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4619 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9421 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9421 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6493 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6493 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7171 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7171 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9415 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9415 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4619 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4619 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9811 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9811 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5003 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5003 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9811 -2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9811 -2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7858 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7858 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5003 -0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5003 -0.1337 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 15 37 1 0 0 0 0 | + | 15 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 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 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 39 | + | M SBL 1 1 39 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 39 -7.0965 3.9169 | + | M SBV 1 39 -7.0965 3.9169 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0022 | + | ID FL2FALNI0022 |
| − | KNApSAcK_ID C00008532 | + | KNApSAcK_ID C00008532 |
| − | NAME Exiguaflavanone D | + | NAME Exiguaflavanone D |
| − | CAS_RN 149725-17-7 | + | CAS_RN 149725-17-7 |
| − | FORMULA C31H38O7 | + | FORMULA C31H38O7 |
| − | EXACTMASS 522.26175357 | + | EXACTMASS 522.26175357 |
| − | AVERAGEMASS 522.62922 | + | AVERAGEMASS 522.62922 |
| − | SMILES O=C(C2)c(c(OC2c(c3O)c(cc(c3)OC)O)1)c(O)c(CC=C(C)C)c(O)c1CC(C(C)=C)CC=C(C)C | + | SMILES O=C(C2)c(c(OC2c(c3O)c(cc(c3)OC)O)1)c(O)c(CC=C(C)C)c(O)c1CC(C(C)=C)CC=C(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/
38 40 0 0 0 0 0 0 0 0999 V2000
-1.4212 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3794 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -1.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6624 -0.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1415 -2.3733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 -0.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 -0.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2515 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1827 -0.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 -2.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9003 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4155 0.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 1.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 2.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 2.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9421 -0.2076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.2783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7171 -1.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9415 -1.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4619 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 -1.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5003 -1.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9811 -2.4479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7858 0.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5003 -0.1337 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
21 28 1 0 0 0 0
6 29 1 0 0 0 0
17 30 1 0 0 0 0
13 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
15 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 39
M SMT 1 OCH3
M SBV 1 39 -7.0965 3.9169
S SKP 8
ID FL2FALNI0022
KNApSAcK_ID C00008532
NAME Exiguaflavanone D
CAS_RN 149725-17-7
FORMULA C31H38O7
EXACTMASS 522.26175357
AVERAGEMASS 522.62922
SMILES O=C(C2)c(c(OC2c(c3O)c(cc(c3)OC)O)1)c(O)c(CC=C(C)C)c(O)c1CC(C(C)=C)CC=C(C)C
M END
