(Q104987825)

English

[(3S,4S,8R,9R,11R)-3-hydroxy-11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

3-hydroxy-11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-1(13)-en-9-yl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

362.136553044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₇

0 references

canonical SMILES

O=C1OC2C(O)C(=C)C=3OC(C(=O)C3)(C)CC(OC(=O)C(C)C)C2C1=C

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isomeric SMILES

C=C1C2=CC(=O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@H]3C(=C)C(=O)O[C@@H]3[C@H]1O)O2

0 references

found in taxon

Jerusalem artichoke

1 reference

stated in

Sesquiterpene lactones from Helianthus tuberosus

Identifiers

InChI

InChI=1S/C19H22O7/c1-8(2)17(22)24-12-7-19(5)13(20)6-11(26-19)9(3)15(21)16-14(12)10(4)18(23)25-16/h6,8,12,14-16,21H,3-4,7H2,1-2,5H3/t12-,14-,15+,16+,19-/m1/s1

0 references

InChIKey

DSGGWPABFOQRKN-SHDVWELFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DSGGWPABFOQRKN-SHDVWELFSA-N

(Q104987825)

[(3S,4S,8R,9R,11R)-3-hydroxy-11-methyl-2,7-dimethylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 2-methylpropanoate

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Identifiers

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