Mol:FL3FALNR0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9499 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9499 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9499 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9499 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8373 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8373 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2753 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2753 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2753 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2753 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 0.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 0.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2810 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2810 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8314 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8314 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3983 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3983 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9653 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9653 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9653 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9653 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3983 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3983 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8314 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8314 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 -1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 -1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5060 1.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5060 1.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3983 -0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3983 -0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4083 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4083 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8314 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8314 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9739 -1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9739 -1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4083 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4083 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9497 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9497 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9497 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9497 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3936 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3936 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5058 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5058 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5060 0.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5060 0.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8207 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8207 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6817 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6817 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3962 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3962 1.6481 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 31 22 2 0 0 0 0 | + | 31 22 2 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -7.5199 4.7381 | + | M SBV 1 35 -7.5199 4.7381 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0008 | + | ID FL3FALNR0008 |
| − | KNApSAcK_ID C00004103 | + | KNApSAcK_ID C00004103 |
| − | NAME Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one | + | NAME Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one |
| − | CAS_RN 145643-97-6 | + | CAS_RN 145643-97-6 |
| − | FORMULA C26H26O7 | + | FORMULA C26H26O7 |
| − | EXACTMASS 450.167853186 | + | EXACTMASS 450.167853186 |
| − | AVERAGEMASS 450.48043999999993 | + | AVERAGEMASS 450.48043999999993 |
| − | SMILES O(c43)C(C=C(C)C)C(=C2c(cc(c(c4)O)OC)3)C(c(c(O2)1)c(cc(O)c1CC=C(C)C)O)=O | + | SMILES O(c43)C(C=C(C)C)C(=C2c(cc(c(c4)O)OC)3)C(c(c(O2)1)c(cc(O)c1CC=C(C)C)O)=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/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.9499 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9499 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 0.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2753 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 0.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -1.2830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8314 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 0.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 1.4845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8314 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 -1.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 1.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5060 1.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3983 -0.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 -1.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8314 -0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9739 -1.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9497 1.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9497 2.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3936 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5058 2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5060 0.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8207 -1.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6817 2.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3962 1.6481 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
20 15 1 0 0 0 0
13 21 1 0 0 0 0
8 23 1 0 0 0 0
23 21 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
19 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
23 31 1 0 0 0 0
31 22 2 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -7.5199 4.7381
S SKP 8
ID FL3FALNR0008
KNApSAcK_ID C00004103
NAME Dihydroisocycloartomunin;3,8,10-Trihydroxy-2-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 145643-97-6
FORMULA C26H26O7
EXACTMASS 450.167853186
AVERAGEMASS 450.48043999999993
SMILES O(c43)C(C=C(C)C)C(=C2c(cc(c(c4)O)OC)3)C(c(c(O2)1)c(cc(O)c1CC=C(C)C)O)=O
M END
