Mol:FL1CA9NR0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.3985 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3985 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3985 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3985 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9548 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9548 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5111 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5111 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5111 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5111 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9548 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9548 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2653 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2653 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8216 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8216 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7092 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7092 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1482 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1482 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7092 -0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7092 -0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1482 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1482 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9571 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9571 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9571 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9571 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4044 -0.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4044 -0.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8810 0.0108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8810 0.0108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.7007 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7007 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4245 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9681 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9681 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4245 -0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4245 -0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8810 -0.6168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.8810 -0.6168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5111 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5111 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3747 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3747 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6841 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6841 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5598 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5598 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3143 1.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3143 1.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8142 2.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8142 2.6798 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 |
| − | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -1.3143 1.8137 | + | M SVB 1 31 -1.3143 1.8137 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NR0002 | + | ID FL1CA9NR0002 |
| − | KNApSAcK_ID C00007130 | + | KNApSAcK_ID C00007130 |
| − | NAME 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone | + | NAME 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone |
| − | CAS_RN 119628-53-4 | + | CAS_RN 119628-53-4 |
| − | FORMULA C26H30O4 | + | FORMULA C26H30O4 |
| − | EXACTMASS 406.21440944799997 | + | EXACTMASS 406.21440944799997 |
| − | AVERAGEMASS 406.51399999999995 | + | AVERAGEMASS 406.51399999999995 |
| − | SMILES c(c(O)1)(C(C3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)C=Cc(c2)cccc2)1)OC | + | SMILES c(c(O)1)(C(C3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)C=Cc(c2)cccc2)1)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
2.3985 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3985 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 0.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5111 1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2653 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8216 0.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7092 -0.4176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9571 0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 0.2377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4044 -0.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 0.0108 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.7007 1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9681 -0.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4245 -0.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8810 -0.6168 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5111 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3747 -1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6841 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3143 1.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8142 2.6798 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
18 15 1 0 0 0 0
12 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 18 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -1.3143 1.8137
S SKP 8
ID FL1CA9NR0002
KNApSAcK_ID C00007130
NAME 2',6'-Dihydroxy-3'-(1-p-menthen-3-yl)-4'-methoxychalcone
CAS_RN 119628-53-4
FORMULA C26H30O4
EXACTMASS 406.21440944799997
AVERAGEMASS 406.51399999999995
SMILES c(c(O)1)(C(C3C(C)C)C=C(CC3)C)c(cc(O)c(C(=O)C=Cc(c2)cccc2)1)OC
M END
