Mol:FL7AAAGL0075
From Metabolomics.JP
(Difference between revisions)
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115126 0 0 0 0 0 0 0 0999 V2000 | 115126 0 0 0 0 0 0 0 0999 V2000 | ||
8.9223 0.2247 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | 8.9223 0.2247 -2.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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54 88 1 0 | 54 88 1 0 | ||
M CHG 1 6 1 | M CHG 1 6 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AAAGL0075 | ID FL7AAAGL0075 | ||
| + | KNApSAcK_ID | ||
| + | NAME | ||
| + | CAS_RN 270062-81-2 | ||
FORMULA C72H77O41 | FORMULA C72H77O41 | ||
EXACTMASS 1597.394026966 | EXACTMASS 1597.394026966 | ||
Revision as of 12:22, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
115126 0 0 0 0 0 0 0 0999 V2000
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8.2078 0.6372 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2078 1.4622 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4933 0.2247 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9223 1.8747 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4933 1.8747 -2.5960 O 0 3 0 0 0 5 0 0 0 0 0 0
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8.0482 -2.1324 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.0626 2.1974 -2.5960 C 0 0 0 0 0 0 0 0 0 0 0 0
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41106 1 0
108 43 1 0
54 88 1 0
M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AAAGL0075
KNApSAcK_ID
NAME
CAS_RN 270062-81-2
FORMULA C72H77O41
EXACTMASS 1597.394026966
AVERAGEMASS 1598.35718
SMILES O=C(OCC(O7)C(O)C(O)C(O)C7Oc(c%12)ccc(c%12)C(O9)=C(C(=O)c(c(O)%10)c9cc(OC(C(O)%11)OCC(O)C%11O)c%10)OC(C8O)OC(C(C8O)O)CO)CCC(OCC(O1)C(C(C(C1Oc(c6)cc(O)c(c62)cc(OC(C5O)OC(C(C(O)5)O)COC(C([H])=C([H])c(c4)ccc(c4)O)=O)c(c(c3)cc(O)c(O)c(O)3)[o+1]2)O)O)O)=O
M END
