Mol:FL4DE8NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.1339 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1339 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8424 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8424 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1247 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1247 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4139 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4139 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4176 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4176 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3042 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3042 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0159 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0159 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0104 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0104 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2950 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2950 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7249 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7249 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4403 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4403 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1538 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1538 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1488 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1488 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4337 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4337 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7208 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7208 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3042 -2.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3042 -2.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1247 -2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1247 -2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5618 0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5618 0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7304 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7304 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4279 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4279 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1538 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1538 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4403 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4403 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4337 2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4337 2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.7761 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7761 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7761 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7761 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1958 2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1958 2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3014 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3014 2.2833 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DE8NI0001 | + | ID FL4DE8NI0001 |
| − | KNApSAcK_ID C00014382 | + | KNApSAcK_ID C00014382 |
| − | NAME Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone | + | NAME Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone |
| − | CAS_RN 253786-79-7 | + | CAS_RN 253786-79-7 |
| − | FORMULA C21H22O8 | + | FORMULA C21H22O8 |
| − | EXACTMASS 402.13146768 | + | EXACTMASS 402.13146768 |
| − | AVERAGEMASS 402.39458 | + | AVERAGEMASS 402.39458 |
| − | SMILES COc(c(O)3)c(c(c2c(CC=C(C)C)3)C(C(O)C(O2)c(c1)c(O)ccc(O)1)=O)O | + | SMILES COc(c(O)3)c(c(c2c(CC=C(C)C)3)C(C(O)C(O2)c(c1)c(O)ccc(O)1)=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/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.8474 -0.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 0.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 -1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 -1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4139 -1.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 -0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -1.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2950 0.1662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7249 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1538 0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1488 1.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 1.4128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7208 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3042 -2.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1247 -2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7304 -1.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4279 -1.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1538 -1.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4403 -0.8923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4337 2.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1339 0.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7761 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1958 2.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 6 1 0 0 0 0
9 11 1 6 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 2 0 0 0 0
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
3 21 1 0 0 0 0
21 22 1 0 0 0 0
12 23 1 0 0 0 0
15 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL4DE8NI0001
KNApSAcK_ID C00014382
NAME Paraibanol;3,5,7,2',5'-Pentahydroxy-6-methoxy-8-prenylflavanone
CAS_RN 253786-79-7
FORMULA C21H22O8
EXACTMASS 402.13146768
AVERAGEMASS 402.39458
SMILES COc(c(O)3)c(c(c2c(CC=C(C)C)3)C(C(O)C(O2)c(c1)c(O)ccc(O)1)=O)O
M END
