Mol:FL5FADGS0004
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 |
| − | -2.0949 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0949 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0949 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0949 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5386 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5386 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9823 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9823 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5386 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5386 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4260 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4260 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1303 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1303 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1303 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1303 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4260 0.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4260 0.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4260 -0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4260 -0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6864 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6864 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2533 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2533 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8203 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8203 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8203 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8203 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2533 1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2533 1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6864 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6864 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6510 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6510 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5386 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5386 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6864 2.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6864 2.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6864 -0.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6864 -0.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 -1.5276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.6019 -1.5276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.2301 -1.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2301 -1.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0308 -1.1928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.0308 -1.1928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.2301 -0.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2301 -0.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6019 -0.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6019 -0.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8012 -0.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.8012 -0.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5715 -0.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5715 -0.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7633 -2.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7633 -2.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0786 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0786 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6510 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6510 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5368 2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5368 2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9783 3.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9783 3.3532 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 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 1.5368 2.456 | + | M SVB 1 35 1.5368 2.456 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FADGS0004 | + | ID FL5FADGS0004 |
| − | KNApSAcK_ID C00005526 | + | KNApSAcK_ID C00005526 |
| − | NAME Isorhamnetin 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isorhamnetin 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 67068-82-0 | + | CAS_RN 67068-82-0 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES O[C@H]([C@H]1OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(OC)c(O)c2)[C@@H]([C@H](O)C(C)O1)O | + | SMILES O[C@H]([C@H]1OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(OC)c(O)c2)[C@@H]([C@H](O)C(C)O1)O |
M END | M END | ||
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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
-2.0949 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0949 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9823 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 0.8980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 -0.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 -0.0656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1303 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 0.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4260 -0.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6864 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2533 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 0.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8203 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2533 1.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6864 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6510 0.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5386 -1.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6864 2.0525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6864 -0.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -1.5276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2301 -1.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0308 -1.1928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.2301 -0.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6019 -0.1283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8012 -0.8259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5715 -0.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -2.1298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6510 -1.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5368 2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9783 3.3532 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
3 19 1 0 0 0 0
20 15 1 0 0 0 0
8 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
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 1.5368 2.456
S SKP 8
ID FL5FADGS0004
KNApSAcK_ID C00005526
NAME Isorhamnetin 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 67068-82-0
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES O[C@H]([C@H]1OC(C4=O)=C(Oc(c43)cc(cc3O)O)c(c2)cc(OC)c(O)c2)[C@@H]([C@H](O)C(C)O1)O
M END
