Mol:FL3FAKNS0004
From Metabolomics.JP
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28 37 1 1 | 28 37 1 1 | ||
35 38 1 0 | 35 38 1 0 | ||
| − | S SKP | + | S SKP 9 |
| − | ID | + | AUTODRAW FALSE |
| − | KNApSAcK_ID | + | ID FL3FAKNS0004 |
| + | KNApSAcK_ID C00042925 | ||
NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin | NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin | ||
CAS_RN 369390-52-3 | CAS_RN 369390-52-3 | ||
Latest revision as of 12:26, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
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3.1838 1.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.8983 0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1838 0.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 0.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7549 2.8135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3273 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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28 37 1 1
35 38 1 0
S SKP 9
AUTODRAW FALSE
ID FL3FAKNS0004
KNApSAcK_ID C00042925
NAME Salcolin B;Tricin 4'-O- (erythro-beta-guaiacylglyceryl) ether;Tricin 4'-O-beta-guaifenesin;Erythro-4'-O- (beta-guaiacylglyceryl) tricin
CAS_RN 369390-52-3
FORMULA C27H26O11
EXACTMASS 526.147511674
AVERAGEMASS 526.48874
SMILES c(c41)c(O)cc(c(C(C=C(O4)c(c2)cc(c(OC(C(c(c3)cc(OC)c(O)c3)O)CO)c2OC)OC)=O)1)O
M END
