(Q104399093)

English

(3R,6S,7S)-3-Butyl-6,7-dihydroxy-4,5,6,7-tetrahydroisobenzofuran-1(3H)-one

group of stereoisomers with the chemical formula C₁₂H₁₈O₄

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Statements

group of stereoisomers

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chemical compound

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226.120509056 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₈O₄

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canonical SMILES

O=C1OC(C2=C1C(O)C(O)CC2)CCCC

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Levisticum officinale

2 references

Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides

Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.

Conioselinum anthriscoides

2 references

Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Characterization of Phthalides in Ligusticum chuanxiong by Liquid Chromatographic-Atmospheric Pressure Chemical Ionization-Mass Spectrometry

Ligusticum chuanxiong

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Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Characterization of Phthalides in Ligusticum chuanxiong by Liquid Chromatographic-Atmospheric Pressure Chemical Ionization-Mass Spectrometry

Ligusticum striatum

2 references

Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Characterization of Phthalides in Ligusticum chuanxiong by Liquid Chromatographic-Atmospheric Pressure Chemical Ionization-Mass Spectrometry

Oreocome striata

1 reference

Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.

Identifiers

InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3

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AXRIHSJZHOTGAE-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

AXRIHSJZHOTGAE-UHFFFAOYSA-N

UniChem compound ID

1 reference

Human Metabolome Database ID

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based on heuristic

inferred from InChIKey

matched by identifier from

AXRIHSJZHOTGAE-UHFFFAOYSA-N

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