senkyunolide C (Q104252488)

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chemical compound

• (3Z)-3-butylidene-5-hydroxy-2-benzofuran-1-one

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Language	Label	Description	Also known as
English	senkyunolide C	chemical compound	(3Z)-3-butylidene-5-hydroxy-2-benzofuran-1-one

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic isobenzofuran

0 references

chemical structure

Senkyunolide C.svg
500 × 390; 14 KB

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mass

204.078644244 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₂H₁₂O₃

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canonical SMILES

O=C1OC(=CCCC)C2=CC(O)=CC=C12

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isomeric SMILES

CCC/C=C1\OC(=O)c2ccc(O)cc21

1 reference

based on heuristic

inferred from InChI

found in taxon

Angelica sinensis

1 reference

stated in

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

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

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Ligusticum chuanxiong

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Ligusticum striatum

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Oreocome striata

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C12H12O3/c1-2-3-4-11-10-7-8(13)5-6-9(10)12(14)15-11/h4-7,13H,2-3H2,1H3/b11-4-

0 references

InChIKey

NRENRLOUWSVYIA-WCIBSUBMSA-N

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PubChem CID

642374

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NRENRLOUWSVYIA-WCIBSUBMSA-N

ChEBI ID

228936

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H12O3/c1-2-3-4-11-10-7-8(13)5-6-9(10)12(14)15-11/h4-7,13H,2-3H2,1H3/b11-4-

UniChem compound ID

34575261

1 reference

stated in

UniChem

NMRShiftDB structure ID

20026595

1 reference

matched by identifier from

InChIKey

InChIKey

NRENRLOUWSVYIA-WCIBSUBMSA-N

 

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