Mol:FL4DALNI0008
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.7278 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7278 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.7439 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7439 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7030 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7030 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1315 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1315 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1404 0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1404 0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8596 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8596 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5679 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5679 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5615 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5615 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6699 -2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6699 -2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7588 -2.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7588 -2.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1548 0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1548 0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1098 -1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1098 -1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2897 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2897 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.6928 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6928 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6928 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6928 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2897 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2897 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8416 -1.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8416 -1.2155 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 |
| − | 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 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0008 | + | ID FL4DALNI0008 |
| − | KNApSAcK_ID C00014385 | + | KNApSAcK_ID C00014385 |
| − | NAME Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone | + | NAME Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone |
| − | CAS_RN 254886-77-6 | + | CAS_RN 254886-77-6 |
| − | FORMULA C25H28O7 | + | FORMULA C25H28O7 |
| − | EXACTMASS 440.18350325 | + | EXACTMASS 440.18350325 |
| − | AVERAGEMASS 440.48562000000004 | + | AVERAGEMASS 440.48562000000004 |
| − | SMILES C(O)(C2c(c3O)ccc(O)c3)C(c(c1O)c(O2)c(CC(C(C)=C)CC=C(C)C)c(c1)O)=O | + | SMILES C(O)(C2c(c3O)ccc(O)c3)C(c(c1O)c(O2)c(CC(C(C)=C)CC=C(C)C)c(c1)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/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.4479 -0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7278 -0.0032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 -1.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7439 -1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0283 -1.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6848 -1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4029 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4097 -0.4412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1315 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1404 0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8596 1.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5679 0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5615 -0.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6699 -2.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7588 -2.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1548 0.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1098 -1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2897 1.1699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7129 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 2.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6849 2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1723 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9340 1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6928 0.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6928 0.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2897 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -1.2155 0.0000 O 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
14 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
16 32 1 0 0 0 0
S SKP 8
ID FL4DALNI0008
KNApSAcK_ID C00014385
NAME Kushenol X;(2R,3R)-3,5,7,2',4'-Pentahydroxy-8-lavandulylflavanone
CAS_RN 254886-77-6
FORMULA C25H28O7
EXACTMASS 440.18350325
AVERAGEMASS 440.48562000000004
SMILES C(O)(C2c(c3O)ccc(O)c3)C(c(c1O)c(O2)c(CC(C(C)=C)CC=C(C)C)c(c1)O)=O
M END
