Mol:FL631GNC0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7694 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7694 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3281 -1.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3281 -1.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4693 -2.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4693 -2.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5438 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5438 0.8374 0.0000 O 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 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 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 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 17 4 1 0 0 0 0 | + | 17 4 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 6 19 1 1 0 0 0 | + | 6 19 1 1 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 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 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 7 29 1 1 0 0 0 | + | 7 29 1 1 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 12 32 1 0 0 0 0 | + | 12 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL631GNC0001 | + | ID FL631GNC0001 |
| − | KNApSAcK_ID C00009323 | + | KNApSAcK_ID C00009323 |
| − | NAME 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one | + | NAME 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one |
| − | CAS_RN 126655-08-1 | + | CAS_RN 126655-08-1 |
| − | FORMULA C22H16O10 | + | FORMULA C22H16O10 |
| − | EXACTMASS 440.074346732 | + | EXACTMASS 440.074346732 |
| − | AVERAGEMASS 440.35644 | + | AVERAGEMASS 440.35644 |
| − | SMILES c(c(O)5)c(c1cc5)OC(c(c4)cc(O)c(O)c(O)4)C(O3)C(c(c2O)c(C(=O)3)cc(O)c2O)1 | + | SMILES c(c(O)5)c(c1cc5)OC(c(c4)cc(O)c(O)c(O)4)C(O3)C(c(c2O)c(C(=O)3)cc(O)c2O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7694 -0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3281 -1.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4693 -2.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 0.8374 0.0000 O 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
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 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
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 1 0 0 0
14 20 1 0 0 0 0
19 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 19 1 0 0 0 0
21 26 1 0 0 0 0
25 27 1 0 0 0 0
23 28 1 0 0 0 0
7 29 1 1 0 0 0
27 29 1 0 0 0 0
27 30 2 0 0 0 0
22 31 1 0 0 0 0
12 32 1 0 0 0 0
S SKP 8
ID FL631GNC0001
KNApSAcK_ID C00009323
NAME 6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
CAS_RN 126655-08-1
FORMULA C22H16O10
EXACTMASS 440.074346732
AVERAGEMASS 440.35644
SMILES c(c(O)5)c(c1cc5)OC(c(c4)cc(O)c(O)c(O)4)C(O3)C(c(c2O)c(C(=O)3)cc(O)c2O)1
M END
