Mol:FL3FABCS0002
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 |
| − | -2.3634 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3634 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3634 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3634 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8071 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2508 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2508 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2508 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2508 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8071 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6945 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6945 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1382 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1382 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6945 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6945 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6945 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6945 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9195 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9195 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5617 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5617 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1673 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1673 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9104 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9104 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9035 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9035 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4402 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4402 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7452 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7452 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8582 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8582 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2021 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2021 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5458 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5458 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8071 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8071 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4468 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4468 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0330 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0330 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6192 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6192 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6192 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0330 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0330 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4468 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4468 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3101 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3101 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5956 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5956 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2050 0.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2050 0.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9195 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9195 0.0412 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 18 29 1 0 0 0 0 | + | 18 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 32 -7.3279 5.6057 | + | M SBV 1 32 -7.3279 5.6057 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 34 -7.1772 5.6928 | + | M SBV 2 34 -7.1772 5.6928 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FABCS0002 | + | ID FL3FABCS0002 |
| − | KNApSAcK_ID C00006130 | + | KNApSAcK_ID C00006130 |
| − | NAME Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 2326-34-3 | + | CAS_RN 2326-34-3 |
| − | FORMULA C22H22O10 | + | FORMULA C22H22O10 |
| − | EXACTMASS 446.121296924 | + | EXACTMASS 446.121296924 |
| − | AVERAGEMASS 446.40408 | + | AVERAGEMASS 446.40408 |
| − | SMILES c(c1)c(ccc(C(=C2)Oc(c(C(O4)C(O)C(C(C4CO)O)O)3)c(c(O)cc(O)3)C2=O)1)OC | + | SMILES c(c1)c(ccc(C(=C2)Oc(c(C(O4)C(O)C(C(C4CO)O)O)3)c(c(O)cc(O)3)C2=O)1)OC |
M END | M END | ||
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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
-2.3634 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3634 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2508 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -0.6355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 -1.9203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 -1.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 -0.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6945 -2.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9195 -0.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5617 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1673 1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 0.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9035 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4402 0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7452 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8582 2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2021 2.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5458 0.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8071 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4468 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0330 -0.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 -0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6192 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0330 0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4468 0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3101 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5956 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2050 0.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9195 0.0412 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
3 22 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 23 1 0 0 0 0
9 23 1 0 0 0 0
18 29 1 0 0 0 0
29 30 1 0 0 0 0
26 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 29 30
M SBL 1 1 32
M SMT 1 CH2OH
M SBV 1 32 -7.3279 5.6057
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SBV 2 34 -7.1772 5.6928
S SKP 8
ID FL3FABCS0002
KNApSAcK_ID C00006130
NAME Cytisoside;Trematin;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 2326-34-3
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c1)c(ccc(C(=C2)Oc(c(C(O4)C(O)C(C(C4CO)O)O)3)c(c(O)cc(O)3)C2=O)1)OC
M END
