(Q104922174)

English

[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

376.152203108 dalton

1 reference

2 references

inferred from InChIKey

1 reference

inferred from InChIKey

[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₀H₂₄O₇

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canonical SMILES

O=C1OC=2C=C(OC)C(=CC2C=C1)C(OC(=O)C(=CC)C)C(O)C(O)(C)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@@H](c1cc2ccc(=O)oc2cc1OC)[C@H](O)C(C)(C)O

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found in taxon

Angelica pubescens

1 reference

stated in

Studies on coumarins from the root of Angelica pubescens Maxim. IV. Structures of angelol-type prenylcoumarins.

Identifiers

InChI

InChI=1S/C20H24O7/c1-6-11(2)19(23)27-17(18(22)20(3,4)24)13-9-12-7-8-16(21)26-14(12)10-15(13)25-5/h6-10,17-18,22,24H,1-5H3/b11-6+/t17-,18-/m0/s1

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InChIKey

BAHUBXAYVOCLNA-DVUPZSMESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAHUBXAYVOCLNA-DVUPZSMESA-N

(Q104922174)

[(1S,2S)-2,3-dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] (E)-2-methylbut-2-enoate

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