Mol:FL3FAACC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3815 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3815 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3815 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3815 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0959 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0959 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8104 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8104 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8104 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8104 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0959 1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0959 1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6278 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6278 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9133 -0.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9133 -0.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1988 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1988 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1988 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1988 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9133 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9133 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6278 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6278 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2301 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2301 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2301 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2301 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9012 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9012 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9133 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9133 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9490 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9490 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5985 -1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5985 -1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7853 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7853 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0139 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0139 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3644 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3644 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1776 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1776 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2844 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2844 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7390 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7390 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4715 -1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4715 -1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0236 -1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0236 -1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0105 -2.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0105 -2.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4715 1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4715 1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5156 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5156 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1349 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1349 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2975 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2975 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2975 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2975 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0120 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0120 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7264 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7264 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7264 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7264 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0120 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0120 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4094 2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4094 2.4287 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACC0001 | + | ID FL3FAACC0001 |
| − | KNApSAcK_ID C00014014 | + | KNApSAcK_ID C00014014 |
| − | NAME Cucumerin B | + | NAME Cucumerin B |
| − | CAS_RN 613254-11-8 | + | CAS_RN 613254-11-8 |
| − | FORMULA C29H28O11 | + | FORMULA C29H28O11 |
| − | EXACTMASS 552.163161738 | + | EXACTMASS 552.163161738 |
| − | AVERAGEMASS 552.52602 | + | AVERAGEMASS 552.52602 |
| − | SMILES C(C(O)1)(OC(c(c4O)c(O)c(C(C)c(c5)ccc(c5)O)c(c24)OC(c(c3)ccc(c3)O)=CC2=O)C(C1O)O)CO | + | SMILES C(C(O)1)(OC(c(c4O)c(O)c(C(C)c(c5)ccc(c5)O)c(c24)OC(c(c3)ccc(c3)O)=CC2=O)C(C1O)O)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
2.3815 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3815 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0959 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8104 -0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8104 0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0959 1.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9133 -0.0574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1988 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9133 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2301 -0.4699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2301 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9012 -0.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 -2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9133 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9490 -0.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5985 -1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7853 -1.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0139 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3644 -1.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1776 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2844 -0.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7390 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4715 -1.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0236 -1.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0105 -2.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4715 1.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5156 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1349 1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2975 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2975 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0120 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7264 2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7264 1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0120 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4094 2.4287 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 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 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 15 1 0 0 0 0
5 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
S SKP 8
ID FL3FAACC0001
KNApSAcK_ID C00014014
NAME Cucumerin B
CAS_RN 613254-11-8
FORMULA C29H28O11
EXACTMASS 552.163161738
AVERAGEMASS 552.52602
SMILES C(C(O)1)(OC(c(c4O)c(O)c(C(C)c(c5)ccc(c5)O)c(c24)OC(c(c3)ccc(c3)O)=CC2=O)C(C1O)O)CO
M END
