Mol:FL5FABGS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.9217 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9217 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9217 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9217 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3654 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3654 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1909 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1909 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1909 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1909 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3654 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3654 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7472 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7472 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3035 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3035 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3035 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3035 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7472 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7472 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7472 -1.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7472 -1.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8596 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8596 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4266 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4266 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9936 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9936 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9936 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9936 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4266 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4266 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8596 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8596 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4778 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4778 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7369 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7369 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3654 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3654 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8887 0.1957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.8887 0.1957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.4832 -0.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.4832 -0.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8994 -0.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8994 -0.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2909 -0.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2909 -0.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7454 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7454 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3418 0.0890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.3418 0.0890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.4100 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4100 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8660 -0.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8660 -0.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5649 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5649 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5624 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5624 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5381 1.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5381 1.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6275 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6275 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3420 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3420 1.0612 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 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 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 33 -3.5624 0.795 | + | M SVB 2 33 -3.5624 0.795 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 3.6275 1.4737 | + | M SVB 1 35 3.6275 1.4737 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FABGS0004 | + | ID FL5FABGS0004 |
| − | KNApSAcK_ID C00005290 | + | KNApSAcK_ID C00005290 |
| − | NAME Mumenin | + | NAME Mumenin |
| − | CAS_RN 16290-08-7 | + | CAS_RN 16290-08-7 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(O3)c(C(C(=C3c(c4)ccc(OC)c4)O)=O)c2O)CO)O)O | + | SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(O3)c(C(C(=C3c(c4)ccc(OC)c4)O)=O)c2O)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
-0.9217 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9217 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1909 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1909 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 0.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 -0.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3035 -0.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3035 0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 0.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 -1.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8596 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9936 0.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9936 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4266 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8596 1.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4778 0.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 -0.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3654 -1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8887 0.1957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.4832 -0.3395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8994 -0.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2909 -0.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7454 0.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3418 0.0890 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.4100 0.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8660 -0.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5649 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5624 0.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5381 1.0140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6275 1.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3420 1.0612 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
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 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 18 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
15 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 30 31
M SBL 2 1 33
M SMT 2 CH2OH
M SVB 2 33 -3.5624 0.795
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SVB 1 35 3.6275 1.4737
S SKP 8
ID FL5FABGS0004
KNApSAcK_ID C00005290
NAME Mumenin
CAS_RN 16290-08-7
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c2)cc(O3)c(C(C(=C3c(c4)ccc(OC)c4)O)=O)c2O)CO)O)O
M END
