(Q104247177)

English

AFJODGVFFQTKRS-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₄H₆₂N₂O₂₃

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Statements

group of stereoisomers

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eudesmane sesquiterpenoid

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eudesmane sesquiterpenoid

pyridine alkaloids

1 reference

pyridine alkaloids

1 reference

1,106.374336244 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₄H₆₂N₂O₂₃

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canonical SMILES

O=C(OCC12C(OC(=O)C)C(OC(=O)C)C3OC(=O)C(C)C(C4=NC=CC=C4C(=O)OCC5(OC2(C(OC(=O)C)C5C(OC(=O)C6=CC=C(OC)C(OC)=C6OC)C1OC(=O)C(OC(=O)C)(C)C)C3(O)C)C)C)C=7C=NC=CC7

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1 reference

Steroidal alkaloids

Identifiers

InChI=1S/C54H62N2O23/c1-25-26(2)45(61)76-42-40(72-27(3)57)44(74-29(5)59)53(24-71-46(62)31-16-14-20-55-22-31)43(77-49(65)50(7,8)78-30(6)60)39(75-48(64)33-18-19-34(67-11)38(69-13)37(33)68-12)35-41(73-28(4)58)54(53,52(42,10)66)79-51(35,9)23-70-47(63)32-17-15-21-56-36(25)32/h14-22,25-26,35,39-44,66H,23-24H2,1-13H3

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AFJODGVFFQTKRS-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

AFJODGVFFQTKRS-UHFFFAOYSA-N

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