Mol:FLIDWXNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6228 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6228 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6228 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6228 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0665 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0665 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1585 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1585 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1585 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7533 -1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7533 -1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3481 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3481 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3481 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3481 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7533 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7533 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9522 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9522 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9423 -1.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9423 -1.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5376 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5376 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5376 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5376 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9429 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9429 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5376 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5376 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9800 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9800 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9800 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9800 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4800 2.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4800 2.2994 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -2.98 1.4334 | + | M SVB 1 28 -2.98 1.4334 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDWXNP0002 | + | ID FLIDWXNP0002 |
| − | KNApSAcK_ID C00010026 | + | KNApSAcK_ID C00010026 |
| − | NAME 3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene | + | NAME 3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene |
| − | CAS_RN 41347-50-6 | + | CAS_RN 41347-50-6 |
| − | FORMULA C21H18O4 | + | FORMULA C21H18O4 |
| − | EXACTMASS 334.120509064 | + | EXACTMASS 334.120509064 |
| − | AVERAGEMASS 334.36521999999997 | + | AVERAGEMASS 334.36521999999997 |
| − | SMILES c(c35)(c(oc3c(c4OC5)ccc(c4)OC)1)cc(C=2)c(OC(C2)(C)C)c1 | + | SMILES c(c35)(c(oc3c(c4OC5)ccc(c4)OC)1)cc(C=2)c(OC(C2)(C)C)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.6228 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6228 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1585 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7533 -1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3481 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3481 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7533 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9522 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9423 -1.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9429 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5376 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9800 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9800 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4800 2.2994 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -2.98 1.4334
S SKP 8
ID FLIDWXNP0002
KNApSAcK_ID C00010026
NAME 3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene
CAS_RN 41347-50-6
FORMULA C21H18O4
EXACTMASS 334.120509064
AVERAGEMASS 334.36521999999997
SMILES c(c35)(c(oc3c(c4OC5)ccc(c4)OC)1)cc(C=2)c(OC(C2)(C)C)c1
M END
