Mol:FL2FADGS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.8276 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8276 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4005 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4005 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1000 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1000 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0677 0.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0677 0.4439 0.0000 O 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 9 14 1 0 0 0 0 | + | 9 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 13 1 0 0 0 0 | + | 24 13 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 35 -3.1 0.1919 | + | M SVB 2 35 -3.1 0.1919 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 2.9768 1.6417 | + | M SVB 1 33 2.9768 1.6417 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FADGS0002 | + | ID FL2FADGS0002 |
| − | KNApSAcK_ID C00008441 | + | KNApSAcK_ID C00008441 |
| − | NAME Viscumiside A | + | NAME Viscumiside A |
| − | CAS_RN 14982-11-7 | + | CAS_RN 14982-11-7 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c3)O)OC)CC2=O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c3)O)OC)CC2=O)CO)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4795 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5623 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4795 -0.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 -0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6041 -0.1386 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0832 0.1621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0832 -1.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9862 0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 -0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2412 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2412 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7125 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1838 0.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2412 0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3852 -0.3672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0411 -0.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5456 -0.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0674 -0.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4149 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9210 -0.4578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8276 -0.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3659 -1.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2616 -1.1053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9768 1.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4005 2.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1000 0.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0677 0.4439 0.0000 O 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
6 13 1 0 0 0 0
9 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 13 1 0 0 0 0
18 30 1 0 0 0 0
30 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -3.1 0.1919
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 2.9768 1.6417
S SKP 8
ID FL2FADGS0002
KNApSAcK_ID C00008441
NAME Viscumiside A
CAS_RN 14982-11-7
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)2)OC(c(c3)cc(c(c3)O)OC)CC2=O)CO)O)O
M END
