Mol:FL2FACGS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 53 0 0 0 0 0 0 0 0999 V2000
-0.7528 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2319 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9679 -0.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9679 0.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4391 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4391 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7627 1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 2.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.4955 0.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1586 -0.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7186 0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
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3 4 2 0 0 0 0
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5 6 2 0 0 0 0
6 1 1 0 0 0 0
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8 9 1 0 0 0 0
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30 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
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44 46 2 0 0 0 0
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47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
S SKP 8
ID FL2FACGS0011
KNApSAcK_ID C00008526
NAME Hexaacetylpyracanthoside
CAS_RN 138989-34-1
FORMULA C33H34O17
EXACTMASS 702.179599662
AVERAGEMASS 702.61286
SMILES C(C1OC(C)=O)(COC(C)=O)OC(Oc(c4)cc(c3c4O)OC(CC(=O)3)c(c2)cc(c(c2)OC(C)=O)OC(C)=O)C(OC(C)=O)C1OC(C)=O
M END
