Mol:FL1DA9NC0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0705 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1437 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1437 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6951 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6951 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -1.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -1.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -1.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -1.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5225 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5225 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0940 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0940 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0940 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0940 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6340 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6340 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1739 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1739 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1739 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1739 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6340 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6340 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5546 1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5546 1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3057 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3057 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 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 22 1 0 0 0 0 | + | 21 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 27 6 1 0 0 0 0 | + | 27 6 1 0 0 0 0 |
| − | 5 35 1 0 0 0 0 | + | 5 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 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 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 38 -4.8233 2.7500 | + | M SBV 1 38 -4.8233 2.7500 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0006 | + | ID FL1DA9NC0006 |
| − | KNApSAcK_ID C00007965 | + | KNApSAcK_ID C00007965 |
| − | NAME Diuvaretin | + | NAME Diuvaretin |
| − | CAS_RN 61463-04-5 | + | CAS_RN 61463-04-5 |
| − | FORMULA C30H28O6 | + | FORMULA C30H28O6 |
| − | EXACTMASS 484.188588628 | + | EXACTMASS 484.188588628 |
| − | AVERAGEMASS 484.53972000000005 | + | AVERAGEMASS 484.53972000000005 |
| − | SMILES c(c(Cc(c(O)2)c(O)c(C(CCc(c4)cccc4)=O)c(OC)c2Cc(c3)c(O)ccc3)1)cccc(O)1 | + | SMILES c(c(Cc(c(O)2)c(O)c(C(CCc(c4)cccc4)=O)c(OC)c2Cc(c3)c(O)ccc3)1)cccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-1.0705 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -0.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -1.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.3735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.9515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -1.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5225 0.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 1.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 1.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -0.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3057 -0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 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
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 28 1 0 0 0 0
29 34 1 0 0 0 0
27 6 1 0 0 0 0
5 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 OCH3
M SBV 1 38 -4.8233 2.7500
S SKP 8
ID FL1DA9NC0006
KNApSAcK_ID C00007965
NAME Diuvaretin
CAS_RN 61463-04-5
FORMULA C30H28O6
EXACTMASS 484.188588628
AVERAGEMASS 484.53972000000005
SMILES c(c(Cc(c(O)2)c(O)c(C(CCc(c4)cccc4)=O)c(OC)c2Cc(c3)c(O)ccc3)1)cccc(O)1
M END
