(Q105112276)

English

(3R)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

isoindole alkaloid

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mass

437.079678132 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₁Cl₂NO₅

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canonical SMILES

COc1c(Cl)c(C)c(Cl)c(O)c1C1NC(=O)c2c(O)cc(O)c(CC=C(C)C)c21

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isomeric SMILES

COc1c(Cl)c(C)c(Cl)c(O)c1[C@@H]1NC(=O)c2c(O)cc(O)c(CC=C(C)C)c21

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found in taxon

Pestalotiopsis adusta

1 reference

stated in

Pestalachlorides A-C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta

Identifiers

InChI

InChI=1S/C21H21Cl2NO5/c1-8(2)5-6-10-11(25)7-12(26)14-13(10)18(24-21(14)28)15-19(27)16(22)9(3)17(23)20(15)29-4/h5,7,18,25-27H,6H2,1-4H3,(H,24,28)/t18-/m1/s1

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InChIKey

IFONQCDBHMGEFN-GOSISDBHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFONQCDBHMGEFN-GOSISDBHSA-N

(Q105112276)

(3R)-3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one

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Identifiers

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