Mol:FL5FCBNC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7894 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7894 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7894 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7894 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2950 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2950 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7387 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7387 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7387 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7387 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2950 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2950 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1824 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1824 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3739 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3739 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3739 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3739 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1824 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1824 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1824 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1824 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9300 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9300 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4970 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4970 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0639 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0639 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0639 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0639 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4970 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4970 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9300 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9300 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9537 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9537 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2950 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2950 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2950 0.6925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2950 0.6925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8511 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8511 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8511 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8511 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3493 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3493 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8475 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8475 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8475 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8475 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3493 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3493 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3452 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3452 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7930 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7930 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2909 -0.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2909 -0.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4645 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4645 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6307 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6307 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3452 0.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3452 0.6197 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 2.6307 1.0322 | + | M SVB 2 34 2.6307 1.0322 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -2.2192 0.3555 | + | M SVB 1 32 -2.2192 0.3555 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCBNC0001 | + | ID FL5FCBNC0001 |
| − | KNApSAcK_ID C00005037 | + | KNApSAcK_ID C00005037 |
| − | NAME Haplopappin A | + | NAME Haplopappin A |
| − | CAS_RN 99631-88-6 | + | CAS_RN 99631-88-6 |
| − | FORMULA C25H22O7 | + | FORMULA C25H22O7 |
| − | EXACTMASS 434.136553058 | + | EXACTMASS 434.136553058 |
| − | AVERAGEMASS 434.43798000000004 | + | AVERAGEMASS 434.43798000000004 |
| − | SMILES c(c1)(ccc(C(O2)=C(C(c(c(O)4)c2c(c(OC)c4)C(C)c(c3)ccc(c3)O)=O)O)c1)OC | + | SMILES c(c1)(ccc(C(O2)=C(C(c(c(O)4)c2c(c(OC)c4)C(C)c(c3)ccc(c3)O)=O)O)c1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7894 -0.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7894 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2950 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7387 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7387 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2950 0.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1824 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 -0.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3739 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1824 0.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1824 -1.7352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4970 -0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 0.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0639 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4970 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9300 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9537 -1.2195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2950 -1.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2950 0.6925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8511 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3493 1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 1.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8475 1.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3493 0.7260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3452 1.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7930 0.8005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2909 -0.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4645 0.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6307 1.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3452 0.6197 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 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
25 26 2 0 0 0 0
26 21 1 0 0 0 0
24 27 1 0 0 0 0
20 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.6307 1.0322
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -2.2192 0.3555
S SKP 8
ID FL5FCBNC0001
KNApSAcK_ID C00005037
NAME Haplopappin A
CAS_RN 99631-88-6
FORMULA C25H22O7
EXACTMASS 434.136553058
AVERAGEMASS 434.43798000000004
SMILES c(c1)(ccc(C(O2)=C(C(c(c(O)4)c2c(c(OC)c4)C(C)c(c3)ccc(c3)O)=O)O)c1)OC
M END
