Mol:FLID2ANS0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5111 0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5111 0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2396 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2396 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5997 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5997 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2312 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2312 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5027 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5027 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1426 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1426 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5913 0.7157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5913 0.7157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2228 1.2418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.2228 1.2418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.4943 1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4943 1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1343 1.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1343 1.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4168 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4168 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7071 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7071 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3913 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3913 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7852 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7852 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4950 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4950 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8108 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8108 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2959 0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2959 0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1510 0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1510 0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7814 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7814 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7776 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7776 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9258 0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9258 0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.8184 0.423 | + | M SVB 2 24 -2.8184 0.423 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 2.1039 -0.8826 | + | M SVB 1 22 2.1039 -0.8826 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID2ANS0002 | + | ID FLID2ANS0002 |
| − | KNApSAcK_ID C00009618 | + | KNApSAcK_ID C00009618 |
| − | NAME 2-Methoxymedicarpin | + | NAME 2-Methoxymedicarpin |
| − | CAS_RN 56752-00-2 | + | CAS_RN 56752-00-2 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 | + | SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.5111 0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2396 0.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5997 0.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2312 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5027 1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1426 1.4098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5913 0.7157 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2228 1.2418 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.4943 1.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1343 1.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4168 1.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7071 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 0.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7852 1.0662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4950 1.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8108 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2959 0.0960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1510 0.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7814 0.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7776 0.8919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9258 0.0824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.0105 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.8184 0.423
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 2.1039 -0.8826
S SKP 8
ID FLID2ANS0002
KNApSAcK_ID C00009618
NAME 2-Methoxymedicarpin
CAS_RN 56752-00-2
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)C(C3)C1c(c2)c(O3)cc(O)c(OC)2
M END
