Mol:FL2FALNP0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -3.3536 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3536 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8327 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8327 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3118 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3118 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3118 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3118 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8327 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8327 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3536 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3536 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8327 -1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8327 -1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8739 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8739 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2700 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2700 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2700 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2700 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 -0.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 -0.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7496 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7496 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2153 -0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2153 -0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3191 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3191 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3191 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3191 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2153 0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2153 0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7496 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7496 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8534 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8534 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2153 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2153 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2670 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2670 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8365 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8365 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3106 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3106 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3609 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3609 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4447 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4447 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0520 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0520 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6593 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6593 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2666 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2666 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8739 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8739 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2666 1.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2666 1.9800 0.0000 C 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 4 1 0 0 0 0 | + | 12 4 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 9 14 2 0 0 0 0 | + | 9 14 2 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 13 1 0 0 0 0 | + | 19 13 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 21 2 0 0 0 0 | + | 24 21 2 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 |
| − | 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 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0011 | + | ID FL2FALNP0011 |
| − | KNApSAcK_ID C00008382 | + | KNApSAcK_ID C00008382 |
| − | NAME Sanggenon N | + | NAME Sanggenon N |
| − | CAS_RN 92280-12-1 | + | CAS_RN 92280-12-1 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES CC(CCC=C(C)C)(C=4)Oc(c(C4)3)ccc(c(O)3)C(C1)Oc(c2)c(c(cc2O)O)C1=O | + | SMILES CC(CCC=C(C)C)(C=4)Oc(c(C4)3)ccc(c(O)3)C(C1)Oc(c2)c(c(cc2O)O)C1=O |
M END | M END | ||
| − | |||
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
-3.3536 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -0.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3536 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8327 -1.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8739 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -1.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -1.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2700 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -0.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -1.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 -0.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3191 -0.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3191 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7496 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8534 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2153 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2670 0.6721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3609 1.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4447 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2666 1.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8739 0.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2666 1.9800 0.0000 C 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
2 7 1 0 0 0 0
6 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 4 1 0 0 0 0
11 13 1 0 0 0 0
9 14 2 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 13 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
22 19 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 21 2 0 0 0 0
23 25 1 0 0 0 0
23 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 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0011
KNApSAcK_ID C00008382
NAME Sanggenon N
CAS_RN 92280-12-1
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(CCC=C(C)C)(C=4)Oc(c(C4)3)ccc(c(O)3)C(C1)Oc(c2)c(c(cc2O)O)C1=O
M END
