Mol:FL3F19GF0001
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 |
| − | -1.3947 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3947 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7169 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7169 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7169 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7169 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3947 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3947 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0725 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0725 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0725 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0725 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0390 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0390 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6388 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6388 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6388 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6388 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0390 -0.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0390 -0.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2927 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2927 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9734 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9734 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6541 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6541 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6541 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6541 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9734 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9734 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2927 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2927 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0390 -2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0390 -2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5574 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5574 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3358 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3358 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6541 -0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6541 -0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9734 1.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9734 1.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5743 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5743 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1618 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1618 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6363 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6363 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4295 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4295 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0171 2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0171 2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2189 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2189 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0791 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0791 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3489 2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3489 2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0161 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0161 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5835 1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5835 1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3643 1.3085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3643 1.3085 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 3 1 0 0 0 0 | + | 10 3 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 5 1 0 0 0 0 | + | 20 5 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19GF0001 | + | ID FL3F19GF0001 |
| − | KNApSAcK_ID C00011167 | + | KNApSAcK_ID C00011167 |
| − | NAME Pongamoside A | + | NAME Pongamoside A |
| − | CAS_RN 713524-63-1 | + | CAS_RN 713524-63-1 |
| − | FORMULA C23H20O9 | + | FORMULA C23H20O9 |
| − | EXACTMASS 440.11073223799997 | + | EXACTMASS 440.11073223799997 |
| − | AVERAGEMASS 440.3995 | + | AVERAGEMASS 440.3995 |
| − | SMILES c(c32)cc(c1c2OC(c(c4)cc(OC(C(O)5)OC(CO)C(O)C5O)cc4)=CC3=O)occ1 | + | SMILES c(c32)cc(c1c2OC(c(c4)cc(OC(C(O)5)OC(CO)C(O)C5O)cc4)=CC3=O)occ1 |
M END | M END | ||
| − | |||
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
-1.3947 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7169 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7169 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -0.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3358 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6541 -0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 1.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1618 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6363 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0171 2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3489 2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0161 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5835 1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 1.3085 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 3 1 0 0 0 0
9 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 5 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL3F19GF0001
KNApSAcK_ID C00011167
NAME Pongamoside A
CAS_RN 713524-63-1
FORMULA C23H20O9
EXACTMASS 440.11073223799997
AVERAGEMASS 440.3995
SMILES c(c32)cc(c1c2OC(c(c4)cc(OC(C(O)5)OC(CO)C(O)C5O)cc4)=CC3=O)occ1
M END
