(Q105110550)

English

(8E,22E)-10,21-dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.1(3,7)]nonacosa-1(26),3(29),4,6,8,22,24,27-octaen-4-yl hydrogen sulfate

chemical compound

In more languages

Statements

type of chemical entity

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cinnamoylamide alkaloid

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515.172621268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₉N₃O₇S

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canonical SMILES

O=C1C=Cc2ccc(OS(=O)(=O)O)c(c2)Oc2ccc(cc2)C=CC(=O)NCCCNCCCCN1

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isomeric SMILES

O=C1/C=C/c2ccc(OS(=O)(=O)O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C25H29N3O7S/c29-24-12-7-19-4-9-21(10-5-19)34-23-18-20(6-11-22(23)35-36(31,32)33)8-13-25(30)27-16-2-1-14-26-15-3-17-28-24/h4-13,18,26H,1-3,14-17H2,(H,27,30)(H,28,29)(H,31,32,33)/b12-7+,13-8+

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HVFBFUUUEIXKJL-INOXDZRUSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

ChEBI release 2021-03-01

UniChem compound ID

1 reference

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