(Q104920728)

English

3alpha-Butyl-4,5,6,7-tetrahydro-6alpha,7beta-dihydroxy-1(3H)-isobenzofuranone

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

226.120509056 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-Butyl-4,5,6,7-tetrahydro-6beta,7alpha-dihydroxy-1(3H)-isobenzofuranone

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₈O₄

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canonical SMILES

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

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isomeric SMILES

CCCC[C@H]1OC(=O)C2=C1CC[C@H](O)[C@H]2O

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found in taxon

celery

2 references

stated in

Mosquitocidal, nematicidal, and antifungal compounds from Apium graveolens L. seeds

stated in

Antioxidant, cyclooxygenase and topoisomerase inhibitory compounds from Apium graveolens Linn. seeds

Identifiers

InChI

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/t8-,9+,11+/m0/s1

0 references

InChIKey

AXRIHSJZHOTGAE-IQJOONFLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXRIHSJZHOTGAE-IQJOONFLSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

AXRIHSJZHOTGAE-IQJOONFLSA-N

(Q104920728)

3alpha-Butyl-4,5,6,7-tetrahydro-6alpha,7beta-dihydroxy-1(3H)-isobenzofuranone

Statements

Identifiers

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