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ChemSpider ID:
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26330772
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SMILES:
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CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O
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Molecular Formula:
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C20H31O5
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Molecular Weight:
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351.45714
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InChI (v1.02b):
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InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1
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InChI Key (v1.02b):
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VXPBDCBTMSKCKZ-VBETYVKCBM
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InChI (v1.02b, fixedH):
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N/A
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InChI Key (v1.02b, fixedH):
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N/A
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InChI (v1.02s):
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InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)/p-1/b13-12+/t16-,17-,19-/m1/s1
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InChI Key (v1.02s):
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VXPBDCBTMSKCKZ-XQHNHVHJSA-M
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InChI (v1.03):
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N/A
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InChI Key (v1.03):
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N/A
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