Mol:FL1CDCNI0001
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 |
| − | -1.8945 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8945 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8945 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8945 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3382 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3382 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7819 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7819 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7819 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7819 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3382 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3382 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2256 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2256 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3307 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3307 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8868 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8868 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4429 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4429 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0039 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0039 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5649 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5649 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5649 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5649 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0039 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0039 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4429 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4429 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2256 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2256 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3382 -0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3382 -0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4508 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4508 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1810 0.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1810 0.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5618 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5618 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1810 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1810 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4508 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4508 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0069 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0069 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5618 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5618 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0069 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0069 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2258 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2258 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4887 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4887 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2517 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2517 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7517 2.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7517 2.4591 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 18 2 1 0 0 0 0 | + | 18 2 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 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 |
| − | 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.2517 1.5931 | + | M SVB 2 30 -2.2517 1.5931 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -0.2258 1.2954 | + | M SVB 1 28 -0.2258 1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CDCNI0001 | + | ID FL1CDCNI0001 |
| − | KNApSAcK_ID C00007035 | + | KNApSAcK_ID C00007035 |
| − | NAME Ovalichalcone A | + | NAME Ovalichalcone A |
| − | CAS_RN 73291-17-5 | + | CAS_RN 73291-17-5 |
| − | FORMULA C23H24O6 | + | FORMULA C23H24O6 |
| − | EXACTMASS 396.1572885 | + | EXACTMASS 396.1572885 |
| − | AVERAGEMASS 396.43306 | + | AVERAGEMASS 396.43306 |
| − | SMILES c(c(C(C=Cc(c3)ccc(c32)OCO2)=O)1)(O)c(c(cc(OC)1)OC)CC=C(C)C | + | SMILES c(c(C(C=Cc(c3)ccc(c32)OCO2)=O)1)(O)c(c(cc(OC)1)OC)CC=C(C)C |
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
-1.8945 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8945 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3382 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7819 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7819 0.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3382 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2256 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8868 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4429 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0039 0.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0039 1.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4429 0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2256 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3382 -0.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4508 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 0.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5618 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1810 1.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4508 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0069 -0.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5618 -0.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0069 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2258 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4887 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2517 1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7517 2.4591 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
18 2 1 0 0 0 0
12 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 13 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.2517 1.5931
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -0.2258 1.2954
S SKP 8
ID FL1CDCNI0001
KNApSAcK_ID C00007035
NAME Ovalichalcone A
CAS_RN 73291-17-5
FORMULA C23H24O6
EXACTMASS 396.1572885
AVERAGEMASS 396.43306
SMILES c(c(C(C=Cc(c3)ccc(c32)OCO2)=O)1)(O)c(c(cc(OC)1)OC)CC=C(C)C
M END
