(Q104196715)

English

3-Benzyl-6-hydroxy-3,10a-bis(methylsulfanyl)-2,5a,6,10-tetrahydropyrazino[1,2-a]indole-1,4-dione

group of stereoisomers with the chemical formula C₂₀H₂₂N₂O₃S₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic 2,5-diketopiperazine

1 reference

inferred from

biogenic 2,5-diketopiperazine

mass

402.107184564 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂N₂O₃S₂

0 references

canonical SMILES

CSC1(Cc2ccccc2)NC(=O)C2(SC)CC3=CC=CC(O)C3N2C1=O

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found in taxon

Plagiostoma

1 reference

stated in

Thiodiketopiperazines from the marine-derived fungus Phoma sp. OUCMDZ-1847.

Identifiers

InChI

InChI=1S/C20H22N2O3S2/c1-26-19(11-13-7-4-3-5-8-13)18(25)22-16-14(9-6-10-15(16)23)12-20(22,27-2)17(24)21-19/h3-10,15-16,23H,11-12H2,1-2H3,(H,21,24)

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InChIKey

RLFWHXFCMHLBFD-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RLFWHXFCMHLBFD-UHFFFAOYSA-N

(Q104196715)

3-Benzyl-6-hydroxy-3,10a-bis(methylsulfanyl)-2,5a,6,10-tetrahydropyrazino[1,2-a]indole-1,4-dione

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