Mol:FLIAAANF0007
From Metabolomics.JP
(Difference between revisions)
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| Line 68: | Line 68: | ||
27 30 1 0 0 0 0 | 27 30 1 0 0 0 0 | ||
14 31 1 0 0 0 0 | 14 31 1 0 0 0 0 | ||
| − | S SKP | + | S SKP 13 |
| − | ID | + | ID FLIAAANF0007 |
| − | KNApSAcK_ID | + | KNApSAcK_ID C00009950 |
| − | NAME | + | NAME Euchrenone b10;8-Prenylerythrinin C |
| − | CAS_RN | + | CAS_RN 130289-28-0 |
FORMULA C25H26O6 | FORMULA C25H26O6 | ||
EXACTMASS 422.172938564 | EXACTMASS 422.172938564 | ||
AVERAGEMASS 422.47033999999996 | AVERAGEMASS 422.47033999999996 | ||
| − | SMILES | + | SMILES CC(C)=CCc(c31)c(O4)c(CC(C(C)(C)O)4)c(O)c(C(=O)C(=CO3)c(c2)ccc(O)c2)1 |
M END | M END | ||
Latest revision as of 14:02, 3 February 2010
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0677 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0449 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5114 0.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6012 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1575 -0.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6012 0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7136 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9032 -1.7784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9032 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.5114 -1.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6386 2.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6786 0.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0562 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6786 -0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6983 -0.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0194 0.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0194 -1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4974 -2.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
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1 2 1 0 0 0 0
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27 30 1 0 0 0 0
14 31 1 0 0 0 0
S SKP 13
ID FLIAAANF0007
KNApSAcK_ID C00009950
NAME Euchrenone b10;8-Prenylerythrinin C
CAS_RN 130289-28-0
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES CC(C)=CCc(c31)c(O4)c(CC(C(C)(C)O)4)c(O)c(C(=O)C(=CO3)c(c2)ccc(O)c2)1
M END
