(6R,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one (Q104389163)

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chemical compound

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Language	Label	Description	Also known as
English	(6R,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

1 reference

based on heuristic

inferred from SMILES

mass

224.104858992 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6R,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

senkyunolide i

1 reference

based on heuristic

inferred from InChI

(3Z,6S,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

1 reference

based on heuristic

inferred from InChI

(3Z,6R,7S)-3-Butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one

1 reference

based on heuristic

inferred from InChI

(3E)-3-Butylidene-4,5,6,7-tetrahydro-6beta,7alpha-dihydroxyisobenzofuran-1(3H)-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₆O₄

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canonical SMILES

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

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isomeric SMILES

CCCC=C1OC(=O)C2=C1CC[C@@H](O)[C@@H]2O

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found in taxon

Angelica sinensis

3 references

stated in

Liquid chromatographic–electrospray mass spectrometric study of the phthalides of Angelica sinensis and chemical changes of Z-ligustilide

stated in

Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis

stated in

Angelica sinensis and its alkylphthalides induce the detoxification enzyme NAD(P)H: quinone oxidoreductase 1 by alkylating Keap1.

Ligusticum chuanxiong

2 references

stated in

Two phthalides from Ligusticum chuangxiong

stated in

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

Angelica acutiloba

1 reference

stated in

Studies on the constituents of Umbelliferae plants. XVI. Isolation and structures of three new ligustilide derivatives from Angelica acutiloba.

Levisticum officinale

2 references

stated in

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

stated in

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

Conioselinum anthriscoides

2 references

stated in

Two phthalides from Ligusticum chuangxiong

stated in

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

Ligusticum striatum

2 references

stated in

Two phthalides from Ligusticum chuangxiong

stated in

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

Oreocome striata

2 references

stated in

DETERMINATION OF THE ACTIVE INGREDIENTS IN CHUANXIONG BY HPLC, HPLC-MS, AND EI-MS

stated in

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

Identifiers

InChI

InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/t8-,11+/m1/s1

0 references

InChIKey

DQNGMIQSXNGHOA-KCJUWKMLSA-N

0 references

PubChem CID

131954670

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

DQNGMIQSXNGHOA-KCJUWKMLSA-N

UniChem compound ID

164125208

1 reference

stated in

UniChem

 

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