Mol:FL1CDANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 28 0 0 0 0 0 0 0 0999 V2000 | + | 27 28 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0085 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0085 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0085 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0085 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5648 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5648 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1211 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1211 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1211 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1211 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5648 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5648 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7515 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7515 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3078 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3078 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1954 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1954 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3656 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3656 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1954 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1954 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3656 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3656 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9182 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9182 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4708 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4708 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4708 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4708 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9182 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9182 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9182 -1.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9182 -1.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6774 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6774 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0234 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0234 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5747 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5747 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1260 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1260 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6774 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6774 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1260 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1260 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1720 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1720 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8864 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8864 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8281 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8281 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3282 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3282 1.9816 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 5 1 0 0 0 0 | + | 18 5 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.8281 1.1156 | + | M SVB 2 27 -1.8281 1.1156 |
| − | 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 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 0.172 0.8072 | + | M SVB 1 25 0.172 0.8072 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CDANI0001 | + | ID FL1CDANI0001 |
| − | KNApSAcK_ID C00007100 | + | KNApSAcK_ID C00007100 |
| − | NAME 4'-O-Methylxanthohumol | + | NAME 4'-O-Methylxanthohumol |
| − | CAS_RN 123316-63-2 | + | CAS_RN 123316-63-2 |
| − | FORMULA C22H24O5 | + | FORMULA C22H24O5 |
| − | EXACTMASS 368.162373878 | + | EXACTMASS 368.162373878 |
| − | AVERAGEMASS 368.42296000000005 | + | AVERAGEMASS 368.42296000000005 |
| − | SMILES c(c(C(=O)C=Cc(c2)ccc(O)c2)1)(O)c(c(cc(OC)1)OC)CC=C(C)C | + | SMILES c(c(C(=O)C=Cc(c2)ccc(O)c2)1)(O)c(c(cc(OC)1)OC)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 28 0 0 0 0 0 0 0 0999 V2000
2.0085 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0085 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1211 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1211 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7515 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3078 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1954 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3656 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1954 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3656 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9182 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4708 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4708 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9182 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9182 -1.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6774 0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0234 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5747 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6774 -0.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1260 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1720 0.8072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8864 0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8281 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3282 1.9816 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
18 5 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -1.8281 1.1156
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 0.172 0.8072
S SKP 8
ID FL1CDANI0001
KNApSAcK_ID C00007100
NAME 4'-O-Methylxanthohumol
CAS_RN 123316-63-2
FORMULA C22H24O5
EXACTMASS 368.162373878
AVERAGEMASS 368.42296000000005
SMILES c(c(C(=O)C=Cc(c2)ccc(O)c2)1)(O)c(c(cc(OC)1)OC)CC=C(C)C
M END
