Mol:FL6FA9NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8453 -1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 -1.8921 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 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 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -1.5598 -1.4796 | + | M SVB 2 26 -1.5598 -1.4796 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.0369 0.2633 | + | M SVB 1 24 -2.0369 0.2633 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FA9NI0001 | + | ID FL6FA9NI0001 |
| − | KNApSAcK_ID C00008784 | + | KNApSAcK_ID C00008784 |
| − | NAME 5,7-Dimethoxy-8-prenylflavan | + | NAME 5,7-Dimethoxy-8-prenylflavan |
| − | CAS_RN 87456-68-6 | + | CAS_RN 87456-68-6 |
| − | FORMULA C22H26O3 | + | FORMULA C22H26O3 |
| − | EXACTMASS 338.18819469799996 | + | EXACTMASS 338.18819469799996 |
| − | AVERAGEMASS 338.44004 | + | AVERAGEMASS 338.44004 |
| − | SMILES C(C)(C)=CCc(c12)c(cc(OC)c(CC[C@@H](c(c3)cccc3)O2)1)OC | + | SMILES C(C)(C)=CCc(c12)c(cc(OC)c(CC[C@@H](c(c3)cccc3)O2)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.6797 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6797 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5671 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0108 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5455 -0.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0108 -0.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 -0.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6686 0.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1016 0.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.9289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.5710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2356 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 1.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0369 0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5368 1.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5598 -1.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 -1.8921 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 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 11 1 0 0 0 0
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -1.5598 -1.4796
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.0369 0.2633
S SKP 8
ID FL6FA9NI0001
KNApSAcK_ID C00008784
NAME 5,7-Dimethoxy-8-prenylflavan
CAS_RN 87456-68-6
FORMULA C22H26O3
EXACTMASS 338.18819469799996
AVERAGEMASS 338.44004
SMILES C(C)(C)=CCc(c12)c(cc(OC)c(CC[C@@H](c(c3)cccc3)O2)1)OC
M END
