(Q115948204)

English

8-Benzoyl-2-(1,2-dihydroxy-5-oxohex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione

group of stereoisomers with the chemical formula C₂₂H₂₃NO₉

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Statements

group of stereoisomers

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chemical compound

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445.137281316 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₃NO₉

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canonical SMILES

O=C(C=CC(O)C(O)C=1OC2(C(=O)NC(OC)(C(=O)C=3C=CC=CC3)C2O)C(=O)C1C)C

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Aspergillus fumigatus

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Metabolomics ofAspergillus fumigatus

Identifiers

InChI=1S/C22H23NO9/c1-11(24)9-10-14(25)15(26)16-12(2)17(27)21(32-16)19(29)22(31-3,23-20(21)30)18(28)13-7-5-4-6-8-13/h4-10,14-15,19,25-26,29H,1-3H3,(H,23,30)

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HKPOITZRRWVZNT-UHFFFAOYSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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