(Q105283599)

English

methyl (1S,2R,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-[(2S,3S)-2,3-dimethyloxirane-2-carbonyloxy]-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-ene-8-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 9-acetyloxy-10-(2,3-dimethyloxirane-2-carbonyl)oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

464.168247096 dalton

1 reference

1 reference

methyl (1S,2S,4R,7E,9R,10S,11R)-9-acetyloxy-10-[(2S,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (1S,2R,4R,7E,9R,10S,11R)-9-acetyloxy-10-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-ene-8-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₈O₁₀

0 references

canonical SMILES

O=C(OC)C1=CCCC2(OC2C3OC(=O)C(=C)C3C(OC(=O)C4(OC4C)C)C1OC(=O)C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@@H](OC(C)=O)/C(C(=O)OC)=C\CC[C@@]1(C)O[C@H]21

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found in taxon

Smallanthus sonchifolius

1 reference

stated in

A biosynthetic pathway of sesquiterpene lactones in Smallanthus sonchifolius and their localization in leaf tissues by MALDI imaging.

Identifiers

InChI

InChI=1S/C23H28O10/c1-10-14-16(31-21(27)23(5)11(2)32-23)15(29-12(3)24)13(20(26)28-6)8-7-9-22(4)18(33-22)17(14)30-19(10)25/h8,11,14-18H,1,7,9H2,2-6H3/b13-8+/t11-,14+,15-,16-,17-,18+,22+,23-/m0/s1

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InChIKey

VCBNPTWPJQLHQN-ZRVFLOPNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VCBNPTWPJQLHQN-ZRVFLOPNSA-N

1 reference

(Q105283599)

methyl (1S,2R,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-[(2S,3S)-2,3-dimethyloxirane-2-carbonyloxy]-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-ene-8-carboxylate

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