Mol:FL4DA8NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8333 -1.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8333 -1.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 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 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 3 1 0 0 0 0 | + | 29 3 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NP0001 | + | ID FL4DA8NP0001 |
| − | KNApSAcK_ID C00014394 | + | KNApSAcK_ID C00014394 |
| − | NAME Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 259812-81-2 | + | CAS_RN 259812-81-2 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c1)ccc(C(O2)C(C(=O)c(c(O)3)c(c(CC=C(C)C)c(O4)c3C=CC4(C)C)2)O)c1O | + | SMILES c(c1)ccc(C(O2)C(C(=O)c(c(O)3)c(c(CC=C(C)C)c(O4)c3C=CC4(C)C)2)O)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4562 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4650 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0366 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0253 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3946 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8333 -1.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 -2.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8936 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1645 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1645 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -0.4854 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
8 18 1 1 0 0 0
16 19 1 0 0 0 0
4 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 3 1 0 0 0 0
27 30 1 0 0 0 0
27 31 1 0 0 0 0
S SKP 8
ID FL4DA8NP0001
KNApSAcK_ID C00014394
NAME Jayacanol;(3R)-3-Hydroxyminimiflorin;3,5,2'-Trihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 259812-81-2
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c1)ccc(C(O2)C(C(=O)c(c(O)3)c(c(CC=C(C)C)c(O4)c3C=CC4(C)C)2)O)c1O
M END
