(Q104994792)

English

Hyoscyamide

chemical compound

In more languages

Statements

type of chemical entity

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phenethylamine alkaloid

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cinnamoylamide alkaloid

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624.247166112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆N₂O₈

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canonical SMILES

COc1cc(C=C(C(=O)NCCc2ccc(O)cc2)C(=Cc2ccc(O)c(OC)c2)C(=O)NCCc2ccc(O)cc2)ccc1O

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isomeric SMILES

COc1cc(/C=C(C(=O)NCCc2ccc(O)cc2)/C(=C/c2ccc(O)c(OC)c2)C(=O)NCCc2ccc(O)cc2)ccc1O

1 reference

based on heuristic

inferred from InChI

Hyoscyamus niger

1 reference

Lignanamides and nonalkaloidal components of Hyoscyamus niger seeds

Identifiers

InChI=1S/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19-,30-20-

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FGAVHWSCPSBSMG-NAZWXXJZSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

FGAVHWSCPSBSMG-NAZWXXJZSA-N

UniChem compound ID

1 reference

NMRShiftDB structure ID

1 reference

matched by identifier from

FGAVHWSCPSBSMG-NAZWXXJZSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

FGAVHWSCPSBSMG-NAZWXXJZSA-N

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