Mol:FL3FALNR0005
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 |
| − | -2.1383 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1383 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1383 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1383 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0257 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0257 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0257 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0257 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4694 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4694 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0869 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0869 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0869 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0869 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4694 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4694 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4694 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4694 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6430 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6430 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2100 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2100 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7770 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7770 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7770 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7770 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2100 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2100 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6430 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6430 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6946 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6946 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2100 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2100 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6430 -0.7990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6430 -0.7990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.6323 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6323 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1830 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1830 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1723 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1723 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7432 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7432 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1381 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1381 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1381 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1381 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6942 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6942 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5820 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5820 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2100 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2100 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6946 0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6946 0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6946 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6946 0.8687 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 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 15 32 1 0 0 0 0 | + | 15 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 SVB 1 35 2.6946 0.8687 | + | M SVB 1 35 2.6946 0.8687 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNR0005 | + | ID FL3FALNR0005 |
| − | KNApSAcK_ID C00004100 | + | KNApSAcK_ID C00004100 |
| − | NAME Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one | + | NAME Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one |
| − | CAS_RN 152130-62-6 | + | CAS_RN 152130-62-6 |
| − | FORMULA C26H26O7 | + | FORMULA C26H26O7 |
| − | EXACTMASS 450.167853186 | + | EXACTMASS 450.167853186 |
| − | AVERAGEMASS 450.48043999999993 | + | AVERAGEMASS 450.48043999999993 |
| − | SMILES C(C(C=C(C)C)4)(=C(c(c(O4)3)cc(c(OC)c3)O)2)C(c(c1O2)c(cc(O)c1CC=C(C)C)O)=O | + | SMILES C(C(C=C(C)C)4)(=C(c(c(O4)3)cc(c(OC)c3)O)2)C(c(c1O2)c(cc(O)c1CC=C(C)C)O)=O |
M END | M END | ||
| − | |||
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
-2.1383 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1383 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0257 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0257 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0869 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0869 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4694 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7770 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6946 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 -0.7990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.6323 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1830 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1723 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7432 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1381 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6942 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5820 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2100 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6946 0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6946 0.8687 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
1 19 1 0 0 0 0
13 20 1 0 0 0 0
8 21 1 0 0 0 0
21 20 1 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
23 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
15 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 SVB 1 35 2.6946 0.8687
S SKP 8
ID FL3FALNR0005
KNApSAcK_ID C00004100
NAME Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one
CAS_RN 152130-62-6
FORMULA C26H26O7
EXACTMASS 450.167853186
AVERAGEMASS 450.48043999999993
SMILES C(C(C=C(C)C)4)(=C(c(c(O4)3)cc(c(OC)c3)O)2)C(c(c1O2)c(cc(O)c1CC=C(C)C)O)=O
M END
