Mol:FL2FALNP0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4873 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4873 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9310 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3747 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3747 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3747 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9310 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1816 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1816 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8609 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8609 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4279 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4279 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4279 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4279 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8609 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8609 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2940 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2940 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1816 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1816 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9310 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7271 1.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7271 1.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0434 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5995 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1544 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1544 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7094 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7094 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1544 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1544 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9310 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9310 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4873 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4873 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0437 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0437 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0437 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0437 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1971 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1971 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5716 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5716 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9949 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9949 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7094 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7094 0.9254 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -3.7212 5.7453 | + | M SBV 1 34 -3.7212 5.7453 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0005 | + | ID FL2FALNP0005 |
| − | KNApSAcK_ID C00008333 | + | KNApSAcK_ID C00008333 |
| − | NAME Fleminone | + | NAME Fleminone |
| − | CAS_RN 88660-16-6 | + | CAS_RN 88660-16-6 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES c(OC)(c4)ccc(c4O)C(C3)Oc(c2C(=O)3)c(C=1)c(c(c2O)CC=C(C)C)OC(C)(C)C1 | + | SMILES c(OC)(c4)ccc(c4O)C(C3)Oc(c2C(=O)3)c(C=1)c(c(c2O)CC=C(C)C)OC(C)(C)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.4873 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 0.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -0.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8609 0.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 0.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4279 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8609 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2940 1.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1816 -1.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 -1.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 1.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -0.9286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 -0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7094 -0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1544 -1.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9310 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4873 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0437 0.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1971 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5716 0.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9949 1.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7094 0.9254 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
3 18 1 0 0 0 0
16 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 1 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -3.7212 5.7453
S SKP 8
ID FL2FALNP0005
KNApSAcK_ID C00008333
NAME Fleminone
CAS_RN 88660-16-6
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES c(OC)(c4)ccc(c4O)C(C3)Oc(c2C(=O)3)c(C=1)c(c(c2O)CC=C(C)C)OC(C)(C)C1
M END
