Mol:FL7AACGL0127
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGL0127.mol ChemDraw12051214423D 113122 0 0 0 0 0 0 0 0999 V2000 2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5764 -1.784...") |
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113122 0 0 0 0 0 0 0 0999 V2000 | 113122 0 0 0 0 0 0 0 0999 V2000 | ||
2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | 2.2909 -2.1968 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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1100 1 0 | 1100 1 0 | ||
M CHG 1 6 1 | M CHG 1 6 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGL0127 | ID FL7AACGL0127 | ||
| + | KNApSAcK_ID | ||
| + | NAME | ||
| + | CAS_RN 171204-55-0 | ||
FORMULA C69H71O38 | FORMULA C69H71O38 | ||
EXACTMASS 1507.3623329079999 | EXACTMASS 1507.3623329079999 | ||
Revision as of 14:44, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
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AUTODRAW FALSE
ID FL7AACGL0127
KNApSAcK_ID
NAME
CAS_RN 171204-55-0
FORMULA C69H71O38
EXACTMASS 1507.3623329079999
AVERAGEMASS 1508.27924
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
M END
