Mol:FL2FBANC0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 60 0 0 0 0 0 0 0 0999 V2000
-0.9250 -0.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2108 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5044 -1.6943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5039 -0.8693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2191 -2.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9333 -1.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2182 -0.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2195 -2.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2094 -2.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3026 -0.9026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0171 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4846 2.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9135 2.8637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1990 3.2762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2108 1.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9250 0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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24 1 1 0 0 0 0
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48 51 1 0 0 0 0
21 52 1 6 0 0 0
22 53 1 1 0 0 0
S SKP 8
ID FL2FBANC0010
KNApSAcK_ID C00014294
NAME Epicalyxin J
CAS_RN 332877-82-4
FORMULA C42H38O9
EXACTMASS 686.251582814
AVERAGEMASS 686.74572
SMILES C(c(c8)ccc(O)c8)(C([H])45)Oc(c3)c(C([H])4CC(CCc(c7)ccc(O)c7)OC5c(c6)ccc(O)c6)c(c(c3OC)2)OC(CC(=O)2)c(c1)ccc(c1)O
M END
