Mol:FL7AACGL0127

Latest revision as of 14:55, 5 December 2012

 
 
Copyright: ARM project http://www.metabolome.jp/ 
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M  CHG  1   6   1 
S  SKP  9 
AUTODRAW	FALSE 
ID	FL7AACGL0127 
KNApSAcK_ID	 
NAME	 
CAS_RN	160253-29-2 
FORMULA	C69H71O35 
EXACTMASS	1459.377589042 
AVERAGEMASS	1460.28104 
SMILES	c(c(C(=C(C(OCC(O2)C(C(O)C(O)C2Oc(c%10)cc([o+1]4)c(c%10O)cc(c(c(c5)ccc(O)c(OC(C6O)OC(COC(C(=C([H])c(c7)ccc(OC(C(O)9)OC(C(C9O)O)COC(C([H])=C([H])c(c8)cc(cc8)O)=O)c7)[H])=O)C(C(O)6)O)5)4)OC(O3)C(C(C(O)C3COC(CC(O)=O)=O)O)O)O)=O)[H])[H])1)c(ccc1)O 
M  END

Mol:FL7AACGL0127

Latest revision as of 14:55, 5 December 2012

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@@ Line 2: / Line 2: @@
 Copyright: ARM project http://www.metabolome.jp/
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 S  SKP  9
@@ Line 244: / Line 238: @@
 KNApSAcK_ID
 NAME
-CAS_RN	171204-55-0
+CAS_RN	160253-29-2
-FORMULA	C69H71O38
+FORMULA	C69H71O35
-EXACTMASS	1507.3623329079999
+EXACTMASS	1459.377589042
-AVERAGEMASS	1508.27924
+AVERAGEMASS	1460.28104
-SMILES	c(c1)c(O)c(O)cc(C(=C(C(=O)OCC(O2)C(O)C(C(C(Oc(c%10)c(O)cc(c%10)C(=C([H])C(=O)OCC(O3)C(O)C(C(O)C(Oc(c(O)4)cc(c(c8OC(C9O)OC(COC(=O)CC(O)=O)C(O)C9O)[o+1]c(c5)c(c8)c(O)cc5OC(O6)C(O)C(O)C(C(COC(C(=C([H])c(c7)cc(c(c7)O)O)[H])=O)6)O)cc4)3)O)[H])2)O)O)[H])[H])1
+SMILES	c(c(C(=C(C(OCC(O2)C(C(O)C(O)C2Oc(c%10)cc([o+1]4)c(c%10O)cc(c(c(c5)ccc(O)c(OC(C6O)OC(COC(C(=C([H])c(c7)ccc(OC(C(O)9)OC(C(C9O)O)COC(C([H])=C([H])c(c8)cc(cc8)O)=O)c7)[H])=O)C(C(O)6)O)5)4)OC(O3)C(C(C(O)C3COC(CC(O)=O)=O)O)O)O)=O)[H])[H])1)c(ccc1)O
 M  END