Mol:FL1CA9NP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3620 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3620 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3620 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3620 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9183 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9183 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4746 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4746 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4746 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4746 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9183 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9183 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1050 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1050 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6613 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6613 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4511 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4511 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0120 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0120 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4511 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4511 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0120 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0120 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5647 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5647 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1173 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1173 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1173 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1173 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5647 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5647 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5647 -1.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5647 -1.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4383 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4383 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4383 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4383 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0120 1.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.0120 1.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.5858 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5858 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0120 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0120 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1246 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1246 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0953 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0953 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4746 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4746 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9746 1.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9746 1.2978 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 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 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 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.4746 0.4318 | + | M SVB 1 27 -2.4746 0.4318 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0003 | + | ID FL1CA9NP0003 |
| − | KNApSAcK_ID C00007082 | + | KNApSAcK_ID C00007082 |
| − | NAME Helichromanochalcone | + | NAME Helichromanochalcone |
| − | CAS_RN 72247-81-5 | + | CAS_RN 72247-81-5 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O | + | SMILES COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
1.3620 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3620 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9183 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4746 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4746 -0.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9183 0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1050 -0.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 -1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4511 -1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4511 -1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1173 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5647 -1.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4383 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4383 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 1.1381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5858 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0120 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1246 0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0953 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4746 0.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9746 1.2978 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
17 16 1 0 0 0 0
12 18 1 0 0 0 0
18 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
20 22 1 0 0 0 0
19 23 1 0 0 0 0
19 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.4746 0.4318
S SKP 8
ID FL1CA9NP0003
KNApSAcK_ID C00007082
NAME Helichromanochalcone
CAS_RN 72247-81-5
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c3)c(c1c(c(O)3)C(=O)C=Cc(c2)cccc2)CC(C(O1)(C)C)O
M END
