(Q125617333)

Englisch

methyl (2S)-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate

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instance of

type of chemical entity

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subclass of

Methyl 2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate

1 reference

based on heuristic

inferred from InChIKey

mass

454.1627677919999 dalton

1 reference

1 reference

C₂₅H₂₆O₈

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canonical SMILES

O=C1OC(C(=O)OC)(C(=C1OC)C=2C=CC(O)=CC2)CC3=CC=C4OC(C)(C)C(O)CC4=C3

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isomeric SMILES

COC(=O)[C@@]1(Cc2ccc3c(c2)C[C@H](O)C(C)(C)O3)OC(=O)C(OC)=C1c1ccc(O)cc1

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found in taxon

Aspergillus

1 reference

stated in

Metabolites from the Plant Endophytic Fungus Aspergillus sp. CPCC 400735 and Their Anti-HIV Activities

Identifiers

InChI

InChI=1S/C25H26O8/c1-24(2)19(27)12-16-11-14(5-10-18(16)32-24)13-25(23(29)31-4)20(21(30-3)22(28)33-25)15-6-8-17(26)9-7-15/h5-11,19,26-27H,12-13H2,1-4H3/t19-,25-/m0/s1

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InChIKey

KIXPVRZDVZKIHJ-DFBJGRDBSA-N

0 references

2 references

26 April 2024

inferred from InChIKey

matched by identifier from

InChIKey

KIXPVRZDVZKIHJ-DFBJGRDBSA-N

(Q125617333)

methyl (2S)-2-[[(3S)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]methyl]-3-(4-hydroxyphenyl)-4-methoxy-5-oxofuran-2-carboxylate

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