(Q105308460)

English

(2R,3R,4S,5S,6R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]-6-[[(5S,8R,9R)-9-hydroxy-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl]oxymethyl]oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

bicyclo[2.2.1]heptane monoterpenoid

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mass

488.26214748 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₀O₁₀

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canonical SMILES

OC1C(OCC2C3CCC(C3)C2(C)C)OC(COC4OCC5(OC(OC5)(C)C)C4O)C(O)C1O

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isomeric SMILES

CC1(C)OC[C@]2(CO[C@@H](OC[C@H]3O[C@@H](OC[C@@H]4[C@@H]5CC[C@@H](C5)C4(C)C)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)O1

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found in taxon

Aster tataricus

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stated in

Oligopeptides from Aster tataricus

Identifiers

InChI

InChI=1S/C24H40O10/c1-22(2)13-6-5-12(7-13)14(22)8-29-20-18(27)17(26)16(25)15(33-20)9-30-21-19(28)24(10-31-21)11-32-23(3,4)34-24/h12-21,25-28H,5-11H2,1-4H3/t12-,13+,14-,15-,16-,17+,18-,19+,20-,21-,24+/m1/s1

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InChIKey

WMCBNRYIQQZLBT-XTAOQEDHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMCBNRYIQQZLBT-XTAOQEDHSA-N

1 reference

(Q105308460)

(2R,3R,4S,5S,6R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methoxy]-6-[[(5S,8R,9R)-9-hydroxy-2,2-dimethyl-1,3,7-trioxaspiro[4.4]nonan-8-yl]oxymethyl]oxane-3,4,5-triol

Statements

Identifiers

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