Mol:FL3FRNNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 42 0 0 0 0 0 0 0 0999 V2000 | + | 37 42 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.6384 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6384 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1250 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1250 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2400 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2400 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 17 19 2 0 0 0 0 | + | 17 19 2 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
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| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 13 1 0 0 0 0 | + | 23 13 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 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 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 10 32 1 0 0 0 0 | + | 10 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 11 1 0 0 0 0 | + | 35 11 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNP0007 | + | ID FL3FRNNP0007 |
| − | KNApSAcK_ID C00013492 | + | KNApSAcK_ID C00013492 |
| − | NAME Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one | + | NAME Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one |
| − | CAS_RN 186824-59-9 | + | CAS_RN 186824-59-9 |
| − | FORMULA C30H28O7 | + | FORMULA C30H28O7 |
| − | EXACTMASS 500.18350325 | + | EXACTMASS 500.18350325 |
| − | AVERAGEMASS 500.53912 | + | AVERAGEMASS 500.53912 |
| − | SMILES C(C(C)(C)6)=Cc(c(O6)1)c(O5)c(C(=O)C(=C45)CC(C(C)=C)c(c43)c(O)c(c(c(O)3)2)OC(C)(C)C=C2)c(O)c1 | + | SMILES C(C(C)(C)6)=Cc(c(O6)1)c(O5)c(C(=O)C(=C45)CC(C(C)=C)c(c43)c(O)c(c(c(O)3)2)OC(C)(C)C=C2)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 42 0 0 0 0 0 0 0 0999 V2000
1.4726 -1.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7658 -0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1945 -0.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2097 0.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7810 0.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9013 -1.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9316 0.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9467 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 1.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0439 -1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0287 -1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7355 -2.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4574 -2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6384 0.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7369 -3.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3951 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2236 -3.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6629 -0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4000 -1.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6932 -2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0916 -0.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8135 -1.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8287 -1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1219 -2.3661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6477 0.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7083 -3.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6384 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1250 -2.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 2.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 2.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7961 2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7961 1.7057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9729 3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9739 3.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
3 7 2 0 0 0 0
4 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 5 2 0 0 0 0
2 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
8 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
17 19 2 0 0 0 0
12 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 13 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
20 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
26 31 1 0 0 0 0
10 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 11 1 0 0 0 0
33 36 1 0 0 0 0
33 37 1 0 0 0 0
S SKP 8
ID FL3FRNNP0007
KNApSAcK_ID C00013492
NAME Artonol C;9,12-Dihydro-6,10,15-trihydroxy-3,3,12,12-tetramethyl-9-(1-methylethenyl)-3H,7H,8H-[1]benzopyrano[7,6-c]pyrano[3,2-h]xanthen-7-one
CAS_RN 186824-59-9
FORMULA C30H28O7
EXACTMASS 500.18350325
AVERAGEMASS 500.53912
SMILES C(C(C)(C)6)=Cc(c(O6)1)c(O5)c(C(=O)C(=C45)CC(C(C)=C)c(c43)c(O)c(c(c(O)3)2)OC(C)(C)C=C2)c(O)c1
M END
