(Q115971921)

English

(10,21-Dioxo-2-oxa-11,16,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaen-4-yl) hydrogen sulfate

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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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=CC=2C=CC(OC=3C=C(C=CC(=O)NCCCCNCCCN1)C=CC3OS(=O)(=O)O)=CC2

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Arabidopsis thaliana

1 reference

Natural variation of root exudates in Arabidopsis thaliana-linking metabolomic and genomic data

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)

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HVFBFUUUEIXKJL-UHFFFAOYSA-N

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1 reference

3 January 2023

based on heuristic

inferred from InChIKey

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