(Q104986789)

English

(3R,6aR,7S,10bR)-7-hydroxy-3-(hydroxymethyl)-2-methyl-3,10b-bis(methylsulfanyl)-6a,7-dihydro-6H-pyrazino[2,1-a]isoindole-1,4-dione

chemical compound

In more languages

Statements

type of chemical entity

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biogenic 2,5-diketopiperazine

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356.08644912 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₀N₂O₄S₂

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canonical SMILES

O=C1N(C)C(SC)(C(=O)N2CC3C(=CC=CC3O)C12SC)CO

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isomeric SMILES

CS[C@]1(CO)C(=O)N2C[C@H]3C(=CC=C[C@@H]3O)[C@@]2(SC)C(=O)N1C

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Aspergillus fumigatus

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Metabolites from Aspergillus fumigatus, an endophytic fungus associated with Melia azedarach, and their antifungal, antifeedant, and toxic activities

Identifiers

InChI=1S/C15H20N2O4S2/c1-16-13(21)15(23-3)10-5-4-6-11(19)9(10)7-17(15)12(20)14(16,8-18)22-2/h4-6,9,11,18-19H,7-8H2,1-3H3/t9-,11-,14+,15+/m0/s1

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DPYAQFVXNBCLEG-YZENIEGJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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