Mol:FL1CHYNP0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.3036 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3036 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3036 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3036 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8599 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8599 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4162 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4162 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4162 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4162 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8599 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8599 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9534 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9534 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3971 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3971 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5095 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5095 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0704 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0704 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5095 -1.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5095 -1.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0704 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0704 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6231 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6231 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1757 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1757 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1757 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1757 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6231 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6231 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9723 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9723 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9723 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9723 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5284 -0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 -0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5284 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5284 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9040 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9040 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1757 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1757 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8233 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8233 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1088 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1088 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4234 -0.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4234 -0.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1379 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1379 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0537 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0537 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5538 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5538 1.9615 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 27 28 | + | M SAL 3 2 27 28 |
| − | M SBL 3 1 29 | + | M SBL 3 1 29 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 29 -0.0537 1.0955 | + | M SVB 3 29 -0.0537 1.0955 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 0.4234 -0.6473 | + | M SVB 2 27 0.4234 -0.6473 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -0.8233 -0.6532 | + | M SVB 1 25 -0.8233 -0.6532 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0008 | + | ID FL1CHYNP0008 |
| − | KNApSAcK_ID C00007090 | + | KNApSAcK_ID C00007090 |
| − | NAME Praecanson A | + | NAME Praecanson A |
| − | CAS_RN 74517-76-3 | + | CAS_RN 74517-76-3 |
| − | FORMULA C23H24O5 | + | FORMULA C23H24O5 |
| − | EXACTMASS 380.162373878 | + | EXACTMASS 380.162373878 |
| − | AVERAGEMASS 380.43366000000003 | + | AVERAGEMASS 380.43366000000003 |
| − | SMILES c(c3OC)(c(OC)cc(c32)OC(C=C2)(C)C)C(OC)=CC(c(c1)cccc1)=O | + | SMILES c(c3OC)(c(OC)cc(c32)OC(C=C2)(C)C)C(OC)=CC(c(c1)cccc1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
0.3036 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3036 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4162 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9534 -0.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0704 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5095 -1.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0704 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6231 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1757 0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1757 -0.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6231 -0.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9723 -0.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9723 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 -0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5284 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1757 0.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8233 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1088 -1.0657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4234 -0.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1379 -1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0537 1.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5538 1.9615 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
4 17 1 0 0 0 0
5 18 1 0 0 0 0
17 19 2 0 0 0 0
19 20 1 0 0 0 0
20 18 1 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -0.0537 1.0955
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 0.4234 -0.6473
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -0.8233 -0.6532
S SKP 8
ID FL1CHYNP0008
KNApSAcK_ID C00007090
NAME Praecanson A
CAS_RN 74517-76-3
FORMULA C23H24O5
EXACTMASS 380.162373878
AVERAGEMASS 380.43366000000003
SMILES c(c3OC)(c(OC)cc(c32)OC(C=C2)(C)C)C(OC)=CC(c(c1)cccc1)=O
M END
