(Q104201902)

English

9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

group of stereoisomers with the chemical formula C₂₇H₃₁N₅O₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

chaetocin-like alkaloid

1 reference

inferred from

chaetocin-like alkaloid

imidazole alkaloid

1 reference

inferred from

imidazole alkaloid

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

457.247775232 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₁N₅O₂

0 references

canonical SMILES

C=CC(C)(C)c1[nH]cnc1C=C1NC(=O)C2CC3(C(C)(C)C=C)c4ccccc4NC3N2C1=O

0 references

Identifiers

InChI

InChI=1S/C27H31N5O2/c1-7-25(3,4)21-18(28-15-29-21)13-19-23(34)32-20(22(33)30-19)14-27(26(5,6)8-2)16-11-9-10-12-17(16)31-24(27)32/h7-13,15,20,24,31H,1-2,14H2,3-6H3,(H,28,29)(H,30,33)

0 references

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-HBM4EU-HB003162

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-HBM4EU-HB003163

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-HBM4EU-HB003164

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-HBM4EU-HB003166

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-HBM4EU-HB003167

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

MSBNK-HBM4EU-HB003165

1 reference

InChIKey

YOEIOWQHMDDCDD-UHFFFAOYSA-N

stated in

MassBank/MassBank-data: release version 2022.06 to wikidata

retrieved

4 September 2022

based on heuristic

InChIKey match

(Q104201902)

9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione

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Identifiers

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