Mol:FL4DRNNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.6033 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6033 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8832 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8832 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6121 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6121 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8992 -1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8992 -1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1837 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1837 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1724 -0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1724 -0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4706 -1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4706 -1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7525 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7525 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7457 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7457 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4523 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4523 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0239 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0239 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0149 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0149 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7042 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7042 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4125 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4125 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4062 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4062 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6862 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6862 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4855 -2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4855 -2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8992 -2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8992 -2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3116 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3116 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9921 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9921 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0046 -1.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0046 -1.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7622 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7622 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 2.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 2.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8451 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8451 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0249 2.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0249 2.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7525 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7525 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2702 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2702 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4016 2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4016 2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0632 2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0632 2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6339 2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6339 2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2955 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2955 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9475 2.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9475 2.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6457 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6457 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6457 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6457 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3116 2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3116 2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0632 1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0632 1.4867 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 30 37 1 0 0 0 0 | + | 30 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DRNNI0005 | + | ID FL4DRNNI0005 |
| − | KNApSAcK_ID C00014399 | + | KNApSAcK_ID C00014399 |
| − | NAME Sanggenol H | + | NAME Sanggenol H |
| − | CAS_RN 202526-53-2 | + | CAS_RN 202526-53-2 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES C(C(O)42)(CC=C(C)CCC=C(CCC=C(C)C)C)(c(c(O4)3)ccc(O)c3)Oc(c1)c(C2=O)c(O)cc(O)1 | + | SMILES C(C(O)42)(CC=C(C)CCC=C(CCC=C(C)C)C)(c(c(O4)3)ccc(O)c3)Oc(c1)c(C2=O)c(O)cc(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 40 0 0 0 0 0 0 0 0999 V2000
-3.6033 -0.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8832 0.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 -1.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8992 -1.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1724 -0.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4706 -1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7525 -1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7457 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4523 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0239 -0.0127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0149 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7042 1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4125 0.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4062 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4855 -2.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8992 -2.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3116 0.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 1.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0046 -1.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7622 1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 2.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8451 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0249 2.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7525 -2.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 2.0807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4016 2.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0632 2.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6339 2.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2955 2.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9475 2.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3116 2.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0632 1.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
8 21 1 0 0 0 0
21 16 1 0 0 0 0
9 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
8 27 1 0 0 0 0
25 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
30 37 1 0 0 0 0
S SKP 8
ID FL4DRNNI0005
KNApSAcK_ID C00014399
NAME Sanggenol H
CAS_RN 202526-53-2
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES C(C(O)42)(CC=C(C)CCC=C(CCC=C(C)C)C)(c(c(O4)3)ccc(O)c3)Oc(c1)c(C2=O)c(O)cc(O)1
M END
