Mol:FL7ABGGL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5028 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5028 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5028 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5028 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9465 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9465 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3902 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3902 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3902 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3902 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9465 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9465 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8339 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8339 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2776 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2776 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2776 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2776 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8339 0.3234 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | -0.8339 0.3234 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2785 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2785 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8454 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8454 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4124 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4124 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4124 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4124 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8454 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8454 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2785 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2785 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0589 0.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0589 0.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9792 1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9792 1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1385 -1.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1385 -1.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8454 1.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8454 1.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2701 -1.0547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.2701 -1.0547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 1.0018 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.0018 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.5177 -1.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5177 -1.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0366 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0366 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.3049 -1.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.3049 -1.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.7890 -1.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.7890 -1.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7856 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7856 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8261 -0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8261 -0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8772 -1.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8772 -1.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9792 -0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9792 -0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3830 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3830 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6685 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6685 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8918 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8918 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8706 -3.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8706 -3.0373 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 8 1 0 0 0 0 | + | 19 8 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 24 33 1 0 0 0 0 | + | 24 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 36 2.3445 -1.5473 | + | M SVB 2 36 2.3445 -1.5473 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -2.383 -1.1219 | + | M SVB 1 34 -2.383 -1.1219 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ABGGL0001 | + | ID FL7ABGGL0001 |
| − | KNApSAcK_ID C00006746 | + | KNApSAcK_ID C00006746 |
| − | NAME Pulchellidin 3-glucoside | + | NAME Pulchellidin 3-glucoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H23O12 | + | FORMULA C22H23O12 |
| − | EXACTMASS 479.1189512 | + | EXACTMASS 479.1189512 |
| − | AVERAGEMASS 479.41082 | + | AVERAGEMASS 479.41082 |
| − | SMILES [C@@H](Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c3OC)c(cc(c3)O)[o+1]2)(C(O)1)O[C@H](CO)[C@@H](C1O)O | + | SMILES [C@@H](Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c3OC)c(cc(c3)O)[o+1]2)(C(O)1)O[C@H](CO)[C@@H](C1O)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/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.5028 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5028 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9465 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3902 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3902 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9465 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8339 -0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2776 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2776 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8339 0.3234 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2785 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8454 -0.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8454 1.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2785 0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0589 0.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 1.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1385 -1.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8454 1.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2701 -1.0547 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.0018 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.5177 -1.3718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0366 -1.5192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3049 -1.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7890 -1.2020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7856 -0.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8261 -0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8772 -1.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 -0.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3830 -1.1219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6685 -1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8918 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8706 -3.0373 0.0000 O 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
19 8 1 0 0 0 0
15 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
22 19 1 0 0 0 0
13 30 1 0 0 0 0
3 31 1 0 0 0 0
31 32 1 0 0 0 0
24 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 CH2OH
M SVB 2 36 2.3445 -1.5473
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -2.383 -1.1219
S SKP 8
ID FL7ABGGL0001
KNApSAcK_ID C00006746
NAME Pulchellidin 3-glucoside
CAS_RN -
FORMULA C22H23O12
EXACTMASS 479.1189512
AVERAGEMASS 479.41082
SMILES [C@@H](Oc(c(c(c4)cc(O)c(O)c(O)4)2)cc(c3OC)c(cc(c3)O)[o+1]2)(C(O)1)O[C@H](CO)[C@@H](C1O)O
M END
