Mol:FL3FRNNR0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1734 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1734 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1734 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8879 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8879 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8879 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8879 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4589 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4589 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2556 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2556 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2556 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2556 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4589 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4589 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4589 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4589 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6023 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6023 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6023 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6023 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8879 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8879 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9700 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9700 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6845 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6845 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6845 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6845 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9700 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9700 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3990 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3990 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3990 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3990 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6845 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6845 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9700 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9700 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3591 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3591 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9691 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9691 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4018 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4018 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4018 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4018 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2511 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2511 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0413 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0413 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0413 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0413 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2511 0.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2511 0.1266 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 |
| − | 3 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
| − | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
| − | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 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 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
| − | 11 28 1 0 0 0 0 | + | 11 28 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0002 | + | ID FL3FRNNR0002 |
| − | KNApSAcK_ID C00013477 | + | KNApSAcK_ID C00013477 |
| − | NAME Artoindonesianin T;5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one | + | NAME Artoindonesianin T;5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one |
| − | CAS_RN 502718-06-1 | + | CAS_RN 502718-06-1 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES C(C=13)C(C(C)=C)c(c(O)4)c(c(cc4OC)O)C(Oc(c2)c(C3=O)c(cc(O)2)O)1 | + | SMILES C(C=13)C(C(C)=C)c(c(O)4)c(c(cc4OC)O)C(Oc(c2)c(C3=O)c(cc(O)2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.1734 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1734 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4589 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2556 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4589 0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4589 -2.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6023 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6023 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8879 -2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6845 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6845 -0.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3990 0.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3990 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6845 1.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9700 0.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3591 1.3423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9691 -0.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4018 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4018 -2.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2511 -1.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0413 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0413 2.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2511 0.1266 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
3 11 2 0 0 0 0
10 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
5 9 2 0 0 0 0
11 10 1 0 0 0 0
4 12 1 0 0 0 0
6 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 7 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 16 1 0 0 0 0
11 28 1 0 0 0 0
20 21 1 0 0 0 0
18 26 1 0 0 0 0
17 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
26 27 1 0 0 0 0
S SKP 8
ID FL3FRNNR0002
KNApSAcK_ID C00013477
NAME Artoindonesianin T;5,6-Dihydro-1,4,8,10-tetrahydroxy-3-methoxy-5-(1-methylethenyl)-7H-benzo[c]xanthen-7-one
CAS_RN 502718-06-1
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES C(C=13)C(C(C)=C)c(c(O)4)c(c(cc4OC)O)C(Oc(c2)c(C3=O)c(cc(O)2)O)1
M END
