Mol:FL1DA9NC0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0705 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1437 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1437 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6951 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6951 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5225 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5225 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0940 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0940 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0940 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0940 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6340 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6340 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1739 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1739 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1739 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1739 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6340 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6340 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5546 1.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5546 1.9682 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 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 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 27 6 1 0 0 0 0 | + | 27 6 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0007 | + | ID FL1DA9NC0007 |
| − | KNApSAcK_ID C00007966 | + | KNApSAcK_ID C00007966 |
| − | NAME Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone | + | NAME Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone |
| − | CAS_RN 64675-27-0 | + | CAS_RN 64675-27-0 |
| − | FORMULA C29H24O5 | + | FORMULA C29H24O5 |
| − | EXACTMASS 452.162373878 | + | EXACTMASS 452.162373878 |
| − | AVERAGEMASS 452.49786 | + | AVERAGEMASS 452.49786 |
| − | SMILES c(c1)cc(Cc(c23)c(O)c(C(=O)CCc(c5)cccc5)c(O)c2Cc(c4)c(ccc4)O3)c(c1)O | + | SMILES c(c1)cc(Cc(c23)c(O)c(C(=O)CCc(c5)cccc5)c(O)c2Cc(c4)c(ccc4)O3)c(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-1.0705 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.3696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -1.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -1.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -1.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -0.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5225 0.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0940 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 1.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6340 0.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5546 1.9682 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
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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
5 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 21 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
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 28 1 0 0 0 0
29 34 1 0 0 0 0
27 6 1 0 0 0 0
22 18 1 0 0 0 0
S SKP 8
ID FL1DA9NC0007
KNApSAcK_ID C00007966
NAME Chamuvaritin;1-[1,3-Dihydroxy-4-[(2-hydroxyphenyl)methyl]-9H-xanthen-2-yl]-3-phenyl-1-propanone
CAS_RN 64675-27-0
FORMULA C29H24O5
EXACTMASS 452.162373878
AVERAGEMASS 452.49786
SMILES c(c1)cc(Cc(c23)c(O)c(C(=O)CCc(c5)cccc5)c(O)c2Cc(c4)c(ccc4)O3)c(c1)O
M END
