(Q104201172)

English

3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

group of stereoisomers with the chemical formula C₂₂H₂₇N₃O₃

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Statements

instance of

group of stereoisomers

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subclass of

chaetocin-like alkaloid

1 reference

inferred from

chaetocin-like alkaloid

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

381.205241724 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₇N₃O₃

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canonical SMILES

COc1ccc2c(CC3NC(=O)C4CCCN4C3=O)c(CC=C(C)C)[nH]c2c1

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found in taxon

Aspergillus fumigatus

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stated in

Seven new prenylated indole diketopiperazine alkaloids from holothurian-derived fungus Aspergillus fumigatus

Identifiers

InChI

InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)

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InChIKey

XNRPVPHNDQHWLJ-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

XNRPVPHNDQHWLJ-UHFFFAOYSA-N

1 reference

(Q104201172)

3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Statements

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