Mol:FL1DBCNS0001
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 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3977 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3977 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3977 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3977 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2897 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2897 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2897 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2897 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7360 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7360 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1835 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1835 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3679 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3679 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9180 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9180 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4564 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4564 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9948 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9948 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9948 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9948 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4564 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4564 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9180 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9180 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7360 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7360 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8437 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9514 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9514 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5860 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5860 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9514 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9514 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5860 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5860 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7360 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7360 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0215 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0215 0.5467 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -6.1505 3.7436 | + | M SBV 1 24 -6.1505 3.7436 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DBCNS0001 | + | ID FL1DBCNS0001 |
| − | KNApSAcK_ID C00007955 | + | KNApSAcK_ID C00007955 |
| − | NAME 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone | + | NAME 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone |
| − | CAS_RN 121781-36-0 | + | CAS_RN 121781-36-0 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c1)c(C(=O)CCc(c2)cc(O3)c(OC3)c2)c(O)cc(O)1 | + | SMILES COc(c1)c(C(=O)CCc(c2)cc(O3)c(OC3)c2)c(O)cc(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3977 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3977 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -0.3200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1835 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3679 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4564 -0.3124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9948 -0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9948 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4564 0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 -0.9579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8437 -0.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9514 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5860 -0.1936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9514 0.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5860 0.8122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7360 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0215 0.5467 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
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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -6.1505 3.7436
S SKP 8
ID FL1DBCNS0001
KNApSAcK_ID C00007955
NAME 2',4'-Dihydroxy-6'-methoxy-3,4-methylenedioxydihydrochalcone
CAS_RN 121781-36-0
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c1)c(C(=O)CCc(c2)cc(O3)c(OC3)c2)c(O)cc(O)1
M END
