(Q104403041)

English

Zanthosimuline

group of stereoisomers with the chemical formula C₂₀H₂₃NO₂

In more languages

Statements

group of stereoisomers

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2,6-dimethyloctane monoterpenoid

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2,6-dimethyloctane monoterpenoid

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309.172878976 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₃NO₂

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canonical SMILES

O=C1C=2C=CC(OC2C=3C=CC=CC3N1C)(C)CCC=C(C)C

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Zanthoxylum simulans

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Chemical and bioactive constituents from Zanthoxylum simulans

Pyranoquinoline alkaloids from Zanthoxylum simulans

Identifiers

InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3

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VMCDFWKTDCXEJZ-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C20H23NO2/c1-14(2)8-7-12-20(3)13-11-16-18(23-20)15-9-5-6-10-17(15)21(4)19(16)22/h5-6,8-11,13H,7,12H2,1-4H3

UniChem compound ID

1 reference

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VMCDFWKTDCXEJZ-UHFFFAOYSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

VMCDFWKTDCXEJZ-UHFFFAOYSA-N

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