Mol:FLIFHXNP0004
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8269 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8269 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2065 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2065 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7522 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7522 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9185 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9185 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5389 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5389 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9931 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9931 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4643 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4643 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6305 1.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6305 1.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.2509 1.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2509 1.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.7052 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7052 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1764 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1764 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5130 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5130 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0274 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0274 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2052 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2052 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8686 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8686 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3542 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3542 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4172 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4172 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8440 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8440 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9514 2.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9514 2.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0144 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0144 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6137 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6137 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0678 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0678 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9016 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9016 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2811 -0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2811 -0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7302 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7302 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6645 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6645 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0537 4.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0537 4.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3125 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3125 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4796 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4796 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8963 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8963 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0302 1.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0302 1.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6136 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6136 2.5790 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 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 19 17 1 0 0 0 0 | + | 19 17 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 35 | + | M SBL 3 1 35 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 35 1.0624 -1.753 | + | M SVB 3 35 1.0624 -1.753 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -2.6107 -0.1388 | + | M SVB 2 33 -2.6107 -0.1388 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 2.3116 -1.4444 | + | M SVB 1 31 2.3116 -1.4444 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFHXNP0004 | + | ID FLIFHXNP0004 |
| − | KNApSAcK_ID C00009985 | + | KNApSAcK_ID C00009985 |
| − | NAME (+)-12a-Hydroxyerythynone | + | NAME (+)-12a-Hydroxyerythynone |
| − | CAS_RN 128718-49-0 | + | CAS_RN 128718-49-0 |
| − | FORMULA C24H24O8 | + | FORMULA C24H24O8 |
| − | EXACTMASS 440.14711774399996 | + | EXACTMASS 440.14711774399996 |
| − | AVERAGEMASS 440.44256 | + | AVERAGEMASS 440.44256 |
| − | SMILES O(c(c2)c(O1)c(c(O3)c2C(=O)C(c54)(C3COc4cc(OC)c(OC)c5)O)C=CC1(C)C)C | + | SMILES O(c(c2)c(O1)c(c(O3)c2C(=O)C(c54)(C3COc4cc(OC)c(OC)c5)O)C=CC1(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/
32 36 0 0 0 0 0 0 0 0999 V2000
-2.8269 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2065 -0.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7522 -0.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5389 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9931 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4643 1.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6305 1.6812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2509 1.8474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.7052 1.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1764 2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5130 1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0274 2.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2052 3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8686 3.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3542 2.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4172 2.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8440 0.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 2.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 1.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6137 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0678 0.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9016 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2811 -0.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7302 -1.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6645 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0537 4.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3125 5.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4796 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8963 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0302 1.9956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6136 2.5790 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
4 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 5 1 0 0 0 0
8 11 1 0 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
9 17 1 0 0 0 0
7 18 2 0 0 0 0
16 19 1 0 0 0 0
19 17 1 0 0 0 0
8 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
14 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 35
M SMT 3 OCH3
M SVB 3 35 1.0624 -1.753
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -2.6107 -0.1388
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 2.3116 -1.4444
S SKP 8
ID FLIFHXNP0004
KNApSAcK_ID C00009985
NAME (+)-12a-Hydroxyerythynone
CAS_RN 128718-49-0
FORMULA C24H24O8
EXACTMASS 440.14711774399996
AVERAGEMASS 440.44256
SMILES O(c(c2)c(O1)c(c(O3)c2C(=O)C(c54)(C3COc4cc(OC)c(OC)c5)O)C=CC1(C)C)C
M END
