(Q105182624)

English

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxyoxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

448.230847352 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₆O₁₀

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canonical SMILES

OCC1OC(OCC2OC(OC(C=C)(C)CCC=C(C)C)C(O)C(O)C2O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Vitis vinifera

1 reference

stated in

Novel monoterpene disaccharide glycosides of Vitis vinifera grapes and wines

Identifiers

InChI

InChI=1S/C21H36O10/c1-5-21(4,8-6-7-11(2)3)31-20-18(27)16(25)15(24)13(30-20)10-28-19-17(26)14(23)12(9-22)29-19/h5,7,12-20,22-27H,1,6,8-10H2,2-4H3/t12-,13+,14-,15+,16-,17+,18+,19+,20-,21+/m0/s1

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InChIKey

NOLFJMLEEXBWCV-BQQBMWLUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NOLFJMLEEXBWCV-BQQBMWLUSA-N

(Q105182624)

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(3S)-3,7-dimethylocta-1,6-dien-3-yl]oxyoxane-3,4,5-triol

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Identifiers

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