Mol:FL7AAGGL0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
-3.3530 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3530 0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2096 0.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4951 1.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2096 1.7778 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.2814 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7103 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 3.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2814 2.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3505 3.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2.5807 0.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5300 -3.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2019 -5.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6145 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9954 -5.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0059
KNApSAcK_ID C00014810
NAME Preternatin C4
CAS_RN 215378-83-9
FORMULA C48H57O29
EXACTMASS 1097.298550862
AVERAGEMASS 1097.94878
SMILES OC(C8O)C(CO)OC(C8O)Oc(c4)c(O)c(cc4c(c(OC(O7)C(O)C(C(O)C7CO)O)6)[o+1]c(c5c6)cc(O)cc5O)OC(O1)C(O)C(C(O)C1COC(C=Cc(c2)ccc(OC(O3)C(C(O)C(O)C3CO)O)c2)=O)O
M END
