Mol:FL2FA8NI0005
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -1.2373 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2373 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7165 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7165 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1956 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1956 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7165 -0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7165 -0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2373 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2373 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3253 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3253 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8462 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8462 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8462 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8462 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3253 -0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3253 -0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3666 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3666 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3253 -2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3253 -2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9009 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9009 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4353 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4353 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4353 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4353 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9009 0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9009 0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3666 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3666 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7165 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7165 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8331 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8331 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9009 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9009 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7165 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7165 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2373 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2373 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2373 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2373 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4353 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4353 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6642 -0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6642 -0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8363 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8363 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4341 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4341 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2385 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2385 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3733 -0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3733 -0.1024 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 |
| − | 2 3 1 0 0 0 0 | + | 2 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 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 24 29 2 0 0 0 0 | + | 24 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 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0005 | + | ID FL2FA8NI0005 |
| − | KNApSAcK_ID C00008542 | + | KNApSAcK_ID C00008542 |
| − | NAME Exiguaflavanone M | + | NAME Exiguaflavanone M |
| − | CAS_RN 156281-23-1 | + | CAS_RN 156281-23-1 |
| − | FORMULA C25H30O7 | + | FORMULA C25H30O7 |
| − | EXACTMASS 442.199153314 | + | EXACTMASS 442.199153314 |
| − | AVERAGEMASS 442.50149999999996 | + | AVERAGEMASS 442.50149999999996 |
| − | SMILES c(C2=O)(c(OC(c(c(O)3)c(O)ccc3)C2)1)c(cc(O)c(CC(C(C)(C)O)CC=C(C)C)1)O | + | SMILES c(C2=O)(c(OC(c(c(O)3)c(O)ccc3)C2)1)c(cc(O)c(CC(C(C)(C)O)CC=C(C)C)1)O |
M END | M END | ||
| − | |||
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
-1.2373 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1956 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 -0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2373 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3253 -2.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 -1.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 -1.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3253 -0.8231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3666 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3253 -2.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9009 -1.1319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 -0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4353 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9009 0.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3666 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8331 0.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9009 -1.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7165 0.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2373 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2373 1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 1.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4353 0.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6642 -0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8363 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4341 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2385 2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 -0.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 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 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
17 19 1 0 0 0 0
13 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
6 28 1 0 0 0 0
24 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
25 32 1 0 0 0 0
S SKP 8
ID FL2FA8NI0005
KNApSAcK_ID C00008542
NAME Exiguaflavanone M
CAS_RN 156281-23-1
FORMULA C25H30O7
EXACTMASS 442.199153314
AVERAGEMASS 442.50149999999996
SMILES c(C2=O)(c(OC(c(c(O)3)c(O)ccc3)C2)1)c(cc(O)c(CC(C(C)(C)O)CC=C(C)C)1)O
M END
