Mol:FL3FRNNR0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0719 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0719 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0672 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0672 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6402 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6402 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3570 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3570 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3617 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3617 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6496 0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6496 0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7906 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7906 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0785 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0785 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7793 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7793 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4961 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4961 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5008 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5008 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7887 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7887 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4997 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4997 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4966 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4966 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7845 2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7845 2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0754 1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0754 1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7887 -1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7887 -1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6402 -1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6402 -1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0888 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0888 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7385 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7385 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4645 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4645 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7945 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7945 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0909 0.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0909 0.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8053 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8053 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1452 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1452 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7743 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7743 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3743 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3743 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3743 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3743 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0888 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0888 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7896 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7896 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4120 -2.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4120 -2.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6087 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6087 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2208 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2208 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9330 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9330 -2.1691 0.0000 O 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 5 1 0 0 0 0 | + | 8 5 1 0 0 0 0 |
| − | 2 9 2 0 0 0 0 | + | 2 9 2 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 1 2 0 0 0 0 | + | 12 1 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 8 2 0 0 0 0 | + | 16 8 2 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 3 18 2 0 0 0 0 | + | 3 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 7 1 0 0 0 0 | + | 22 7 1 0 0 0 0 |
| − | 10 23 1 0 0 0 0 | + | 10 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 11 25 1 0 0 0 0 | + | 11 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 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 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNR0003 | + | ID FL3FRNNR0003 |
| − | KNApSAcK_ID C00013496 | + | KNApSAcK_ID C00013496 |
| − | NAME Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one | + | NAME Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one |
| − | CAS_RN 223386-74-1 | + | CAS_RN 223386-74-1 |
| − | FORMULA C26H28O8 | + | FORMULA C26H28O8 |
| − | EXACTMASS 468.17841787199995 | + | EXACTMASS 468.17841787199995 |
| − | AVERAGEMASS 468.49572 | + | AVERAGEMASS 468.49572 |
| − | SMILES C(=CC(C)C)c(c(OC)4)c(c(c3c4)C(C(C2)=C(O3)c(c1OC(C(C)(C)OO)2)ccc(c1)O)=O)O | + | SMILES C(=CC(C)C)c(c(OC)4)c(c(c3c4)C(C(C2)=C(O3)c(c1OC(C(C)(C)OO)2)ccc(c1)O)=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/
34 37 0 0 0 0 0 0 0 0999 V2000
-0.0719 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0672 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6402 -0.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3570 -0.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3617 0.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6496 0.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0785 0.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7793 0.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4961 0.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5008 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7887 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4997 0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4966 1.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7845 2.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0754 1.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7887 -1.3548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6402 -1.3402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0888 2.0944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7385 -0.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4645 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7945 -0.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0909 0.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8053 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -0.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7743 -0.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3743 -0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3743 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0888 -0.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7896 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4120 -2.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6087 -1.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2208 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9330 -2.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 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 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 7 1 0 0 0 0
10 23 1 0 0 0 0
23 24 1 0 0 0 0
11 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
21 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 1 0 0 0 0
S SKP 8
ID FL3FRNNR0003
KNApSAcK_ID C00013496
NAME Artoindonesianin B;(+)-6,7-Dihydro-6-(1-hydroperoxy-1-methylethyl)-3,9-dihydroxy-11-methoxy-10-[(1E)-3-methyl-1-butenyl]-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN 223386-74-1
FORMULA C26H28O8
EXACTMASS 468.17841787199995
AVERAGEMASS 468.49572
SMILES C(=CC(C)C)c(c(OC)4)c(c(c3c4)C(C(C2)=C(O3)c(c1OC(C(C)(C)OO)2)ccc(c1)O)=O)O
M END
