Mol:FL4DRNNI0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.1852 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1852 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6643 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6643 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1434 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1434 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1434 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1434 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6643 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6643 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1852 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1852 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3775 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3775 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3775 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3775 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3775 -1.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3775 -1.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4187 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4187 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6643 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6643 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7056 -0.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7056 -0.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8239 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8239 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4704 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4704 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4221 -0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4221 -0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6667 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6667 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3132 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3132 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7150 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7150 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2643 -0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2643 -0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 -1.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 -1.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2756 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2756 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2756 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2756 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3472 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3472 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8983 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8983 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7056 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7056 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2259 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2259 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7451 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7451 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2643 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2643 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7451 -2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7451 -2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6753 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6753 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2919 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2919 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2919 1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2919 1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9147 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9147 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6692 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6692 2.0678 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 |
| − | 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 2 13 1 0 0 0 0 | + | 2 13 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 9 1 0 0 0 0 | + | 16 9 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 8 22 1 0 0 0 0 | + | 8 22 1 0 0 0 0 |
| − | 9 23 1 0 0 0 0 | + | 9 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 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 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 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 |
| − | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
| − | 33 5 1 0 0 0 0 | + | 33 5 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DRNNI0002 | + | ID FL4DRNNI0002 |
| − | KNApSAcK_ID C00008633 | + | KNApSAcK_ID C00008633 |
| − | NAME Sorocein G | + | NAME Sorocein G |
| − | CAS_RN 163633-92-9 | + | CAS_RN 163633-92-9 |
| − | FORMULA C30H34O7 | + | FORMULA C30H34O7 |
| − | EXACTMASS 506.230453442 | + | EXACTMASS 506.230453442 |
| − | AVERAGEMASS 506.58676 | + | AVERAGEMASS 506.58676 |
| − | SMILES C(Cc(c(O)4)c(c(c(c14)OC(CC=C(C)C)(c32)C(Oc2cc(cc3)O)(C1=O)O)CC=C(C)C)O)=C(C)C | + | SMILES C(Cc(c(O)4)c(c(c(c14)OC(CC=C(C)C)(c32)C(Oc2cc(cc3)O)(C1=O)O)CC=C(C)C)O)=C(C)C |
M END | M END | ||
| − | |||
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
-1.1852 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6643 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1434 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1434 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6643 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1852 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -0.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 -0.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3775 -1.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4187 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6643 -2.0678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7056 -0.2643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8239 -0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4704 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4221 -0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -0.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3132 0.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7150 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 -0.1903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 -1.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 0.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 0.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2756 1.2338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3472 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8983 1.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7056 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2259 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7451 -1.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2643 -1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7451 -2.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6753 0.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2919 0.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2919 1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9147 2.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6692 2.0678 0.0000 C 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
8 12 1 0 0 0 0
2 13 1 0 0 0 0
6 14 1 0 0 0 0
12 15 1 0 0 0 0
15 16 2 0 0 0 0
16 9 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
18 21 1 0 0 0 0
8 22 1 0 0 0 0
9 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
1 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
30 32 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
33 5 1 0 0 0 0
S SKP 8
ID FL4DRNNI0002
KNApSAcK_ID C00008633
NAME Sorocein G
CAS_RN 163633-92-9
FORMULA C30H34O7
EXACTMASS 506.230453442
AVERAGEMASS 506.58676
SMILES C(Cc(c(O)4)c(c(c(c14)OC(CC=C(C)C)(c32)C(Oc2cc(cc3)O)(C1=O)O)CC=C(C)C)O)=C(C)C
M END
