Mol:FL1C1LNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.4644 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4644 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4644 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4644 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0207 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0207 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5771 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5771 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5771 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5771 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0207 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0207 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2075 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2075 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7638 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7638 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3486 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3486 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9096 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9096 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3486 -1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3486 -1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9096 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9096 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4622 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4622 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0148 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0148 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0148 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0148 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4622 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4622 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4622 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4622 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5675 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5675 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1201 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1201 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1201 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1201 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5675 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5675 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3069 1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3069 1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8476 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8476 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5843 -0.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5843 -0.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2988 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2988 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4431 0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4431 0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4431 0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4431 0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2988 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2988 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7354 2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7354 2.1488 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 30 2.2988 1.2492 | + | M SVB 3 30 2.2988 1.2492 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 3.1331 0.676 | + | M SVB 2 28 3.1331 0.676 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 1.5843 -0.7691 | + | M SVB 1 26 1.5843 -0.7691 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1LNP0002 | + | ID FL1C1LNP0002 |
| − | KNApSAcK_ID C00007109 | + | KNApSAcK_ID C00007109 |
| − | NAME Glabrachalcone | + | NAME Glabrachalcone |
| − | CAS_RN 87457-88-3 | + | CAS_RN 87457-88-3 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES C(C(c(c(O)3)ccc(c32)OC(C=C2)(C)C)=O)=Cc(c(OC)1)cc(OC)c(OC)c1 | + | SMILES C(C(c(c(O)3)ccc(c32)OC(C=C2)(C)C)=O)=Cc(c(OC)1)cc(OC)c(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
1.4644 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4644 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0207 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5771 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5771 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0207 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2075 -0.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 -0.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3486 -0.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3486 -1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9096 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4622 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 0.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 0.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1201 -0.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3069 1.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8476 0.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5843 -0.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 -1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4431 0.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4431 0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2988 1.2492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 2.1488 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 2.2988 1.2492
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 3.1331 0.676
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 1.5843 -0.7691
S SKP 8
ID FL1C1LNP0002
KNApSAcK_ID C00007109
NAME Glabrachalcone
CAS_RN 87457-88-3
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES C(C(c(c(O)3)ccc(c32)OC(C=C2)(C)C)=O)=Cc(c(OC)1)cc(OC)c(OC)c1
M END
