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肌醇六磷酸 phytin

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iupac名称 IUPAC Name :calcium;magnesium;(2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
INCHI InChI :INCHI InChI=1/C6H18O24P6.Ca.毫克 Mg/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+2/p-12
印地 Std.InChI: INCHI InChI=1S/C6H18O24P6.Ca.毫克 Mg/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15;;/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24);;/q;2*+2/p-12
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INCHI基 InChIKey :JWJNVODPOMYTLT-OBELOOTIAZ
标准奇奇 Std.InChIKey: JWJNVODPOMYTLT-UHFFFAOYSA-B
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微笑 SMILES :C1(C(C(C(C(C1op OP(= o =O)([o- O-])[o- O-])op OP(= o =O)([o- O-])[o- O-])op OP(= o =O)([o- O-])[o- O-])op OP(= o =O)([o- O-])[o- O-])op OP(= o =O)([o- O-])[o- O-])op OP(= o =O)([o- O-])[o- O-].[毫克 Mg+2].[Ca+2]
MDL : mfcd00082312 MFCD00082312