(Q105349931)

English

5-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-6-isopropyl-2-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

5-(3-Hydroxy-3-methylbut-1-enyl)-6-propan-2-yl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohepta-2,4,6-trien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

410.19406792 dalton

1 reference

1 reference

C₂₁H₃₀O₈

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canonical SMILES

O=C1C=C(C(=CC=C1OC2OC(CO)C(O)C(O)C2O)C=CC(O)(C)C)C(C)C

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isomeric SMILES

CC(C)c1cc(=O)c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1/C=C/C(C)(C)O

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found in taxon

Sphaeropsis sapinea

1 reference

stated in

Antifungal terpenoids produced by cypress after infection by Diplodia pinea f. sp. cupressi

Identifiers

InChI

InChI=1S/C21H30O8/c1-11(2)13-9-14(23)15(6-5-12(13)7-8-21(3,4)27)28-20-19(26)18(25)17(24)16(10-22)29-20/h5-9,11,16-20,22,24-27H,10H2,1-4H3/b8-7+/t16-,17-,18+,19-,20-/m0/s1

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InChIKey

YKWRJWQJGXOUMW-DCGWSOBJSA-N

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(Q105349931)

5-[(1E)-3-hydroxy-3-methylbut-1-en-1-yl]-6-isopropyl-2-{[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohepta-2,4,6-trien-1-one

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