(Q105161743)

English

MDHVPFKPZGGNLB-VFJIIGOUSA-N

group of stereoisomers with the chemical formula C₅₁H₈₃N₄O₁₅P

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instance of

group of stereoisomers

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1 reference

biogenic 1,6-dioxaspiro(4.5)decane

1 reference

inferred from

biogenic 1,6-dioxaspiro(4.5)decane

mass

1,022.5592545860003 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₃N₄O₁₅P

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canonical SMILES

COCC(C(O)C(O)C(=O)NC(C)CC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC#N)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C

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isomeric SMILES

COCC(C(O)C(O)C(=O)NC(C)CC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=C/C=C/C(C)=C/C#N)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C51H83N4O15P/c1-29(21-22-52)17-15-18-30(2)31(3)23-32(4)43(58)36(8)39(56)25-42(66-14)46-47(70-71(62,63)64)50(9,10)51(69-46)26-40(57)35(7)41(68-51)20-16-19-37-27-67-49(54-37)33(5)24-34(6)53-48(61)45(60)44(59)38(28-65-13)55(11)12/h15-19,21,23,27,32-36,38-47,56-60H,20,24-26,28H2,1-14H3,(H,53,61)(H2,62,63,64)/b17-15+,19-16?,29-21+,30-18?,31-23?

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InChIKey

MDHVPFKPZGGNLB-VFJIIGOUSA-N

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(Q105161743)

MDHVPFKPZGGNLB-VFJIIGOUSA-N

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