(Q105164852)

English

[(1S)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

356.162373868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₅

0 references

canonical SMILES

O=C(OC(C1=COC(=C1)C=2C=C(O)C=CC2O)CC=C(C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC[C@H](OC(=O)C=C(C)C)c1coc(-c2cc(O)ccc2O)c1

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found in taxon

Lithospermum erythrorhizon

1 reference

stated in

Isolation of the intermediates and related metabolites of shikonin biosynthesis from Lithospermum erythrorhizon cell cultures.

Identifiers

InChI

InChI=1S/C21H24O5/c1-13(2)5-8-19(26-21(24)9-14(3)4)15-10-20(25-12-15)17-11-16(22)6-7-18(17)23/h5-7,9-12,19,22-23H,8H2,1-4H3/t19-/m0/s1

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InChIKey

MIIXCJKPPPUPOJ-IBGZPJMESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MIIXCJKPPPUPOJ-IBGZPJMESA-N

(Q105164852)

[(1S)-1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-enyl] 3-methylbut-2-enoate

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Identifiers

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