(Q104200823)

English

2-(3-Hexanoyl-9a-methyl-2,9-dioxo-6-prop-1-enylfuro[3,2-g]isoquinolin-7-yl)pentanedioic acid

group of stereoisomers with the chemical formula C₂₆H₂₉NO₈

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instance of

group of stereoisomers

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1 reference

483.189316888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₉NO₈

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canonical SMILES

O=C1OC2(C(=O)C3=CN(C(C=CC)=CC3=CC2=C1C(=O)CCCCC)C(C(=O)O)CCC(=O)O)C

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1 reference

Identifiers

InChI

InChI=1S/C26H29NO8/c1-4-6-7-9-20(28)22-18-13-15-12-16(8-5-2)27(19(24(32)33)10-11-21(29)30)14-17(15)23(31)26(18,3)35-25(22)34/h5,8,12-14,19H,4,6-7,9-11H2,1-3H3,(H,29,30)(H,32,33)

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InChIKey

XBUWNEMZEWOHAM-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XBUWNEMZEWOHAM-UHFFFAOYSA-N

(Q104200823)

2-(3-Hexanoyl-9a-methyl-2,9-dioxo-6-prop-1-enylfuro[3,2-g]isoquinolin-7-yl)pentanedioic acid

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