Mol:FL4D1ANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 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 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 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 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4D1ANI0002 | + | ID FL4D1ANI0002 |
| − | KNApSAcK_ID C00008612 | + | KNApSAcK_ID C00008612 |
| − | NAME 3,7,4'-Trihydroxy-8,3',5'-triprenylflavanone | + | NAME 3,7,4'-Trihydroxy-8,3',5'-triprenylflavanone |
| − | CAS_RN 90686-14-9 | + | CAS_RN 90686-14-9 |
| − | FORMULA C30H36O5 | + | FORMULA C30H36O5 |
| − | EXACTMASS 476.256274262 | + | EXACTMASS 476.256274262 |
| − | AVERAGEMASS 476.60384000000005 | + | AVERAGEMASS 476.60384000000005 |
| − | SMILES c(c3)c(O)c(c(c31)OC(c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)C(O)C1=O)CC=C(C)C | + | SMILES c(c3)c(O)c(c(c31)OC(c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)C(O)C1=O)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-2.6419 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -0.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -1.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0380 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -2.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4964 0.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1623 -0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6414 0.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 0.9942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1617 1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 0.4168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 -0.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -1.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 0.9752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0115 1.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0115 1.9484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5075 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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15 25 1 0 0 0 0
14 26 1 0 0 0 0
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28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL4D1ANI0002
KNApSAcK_ID C00008612
NAME 3,7,4'-Trihydroxy-8,3',5'-triprenylflavanone
CAS_RN 90686-14-9
FORMULA C30H36O5
EXACTMASS 476.256274262
AVERAGEMASS 476.60384000000005
SMILES c(c3)c(O)c(c(c31)OC(c(c2)cc(CC=C(C)C)c(O)c2CC=C(C)C)C(O)C1=O)CC=C(C)C
M END
