(Q105126193)

English

(3S)-3-[(1S,2S)-1,2-dihydroxypropyl]-6-hydroxy-3H-2-benzofuran-1-one

chemical compound

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Statements

type of chemical entity

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biogenic isobenzofuran

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224.068473484 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-3-[(1R,2S)-1,2-dihydroxypropyl]-6-hydroxy-3H-2-benzofuran-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₁H₁₂O₅

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canonical SMILES

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

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isomeric SMILES

C[C@H](O)[C@H](O)[C@H]1OC(=O)c2cc(O)ccc21

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Ceratostigma willmottianum

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Chemical Components from Ceratostigmawillmottianum

Identifiers

InChI=1S/C11H12O5/c1-5(12)9(14)10-7-3-2-6(13)4-8(7)11(15)16-10/h2-5,9-10,12-14H,1H3/t5-,9-,10-/m0/s1

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JELOYSWGYATABR-AGEOJFDCSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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