(Q105379696)

English

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 3,7-dimethylocta-2,6-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

462.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₄O₁₁

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canonical SMILES

O=C(OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O)C=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/C(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Gardenia jasminoides

1 reference

stated in

Monoterpenoids from the Fruit ofGardenia jasminoides

Identifiers

InChI

InChI=1S/C21H34O11/c1-10(2)5-4-6-11(3)7-14(23)32-21-19(28)17(26)16(25)13(31-21)9-30-20-18(27)15(24)12(22)8-29-20/h5,7,12-13,15-22,24-28H,4,6,8-9H2,1-3H3/b11-7+/t12-,13-,15+,16-,17+,18-,19-,20+,21+/m1/s1

0 references

InChIKey

ZMRJCLHSSFKONO-IYIDKUKZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZMRJCLHSSFKONO-IYIDKUKZSA-N

(Q105379696)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (2E)-3,7-dimethylocta-2,6-dienoate

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