(Q104398781)

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Budlein A tiglate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[(4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

(2Z,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[(2E,4S,8R,9S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

[2-(Hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

374.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2Z,4S,8R,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2E,4S,8R,9S,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2Z,4S,8S,9R,11R)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

1 reference

[(2Z,4R,8R,9R,11S)-2-(hydroxymethyl)-11-methyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-1(13),2-dien-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₂O₇

0 references

canonical SMILES

O=C(OC1CC2(OC(=CC2=O)C(=CC3OC(=O)C(=C)C31)CO)C)C(=CC)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3

0 references

found in taxon

Jerusalem artichoke

1 reference

stated in

Sesquiterpene lactones from Helianthus tuberosus

Heliomeris multiflora

1 reference

stated in

Sesquiterpene lactones of three Heliomeris species (heliantheae; asteraceae)

Heliomeris multiflora var. multiflora

1 reference

stated in

Sesquiterpene lactones of three Heliomeris species (heliantheae; asteraceae)

Helianthopsis

1 reference

stated in

Sesquiterpene lactones and benzofurans in glandular trichomes of three Pappobolus species

Identifiers

InChI

InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5 ,12-6-/t14-,15-,17 ,20-/m1/s1

0 references

InChIKey

BMVJFNLJSZHNNS-BVPXTQGSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMVJFNLJSZHNNS-BVPXTQGSSA-N

1 reference

(Q104398781)

Budlein A tiglate

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