(Q105229102)

English

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S)-1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-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

4-Megastigmene-6a,9R-diol 9-[apiosyl-(1->6)-glucoside]

1 reference

based on heuristic

inferred from SMILES

mass

506.272712164 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₄₂O₁₁

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canonical SMILES

OCC1(O)COC(OCC2OC(OC(C)CCC3(O)C(=CCCC3(C)C)C)C(O)C(O)C2O)C1O

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isomeric SMILES

CC1=CCCC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Cydonia oblonga

1 reference

stated in

Constituents ofCydonia vulgaris: Isolation and Structure Elucidation of Four New Flavonol Glycosides and Nine New α-Ionol-Derived Glycosides

Cydonia vulgaris

1 reference

stated in

Constituents ofCydonia vulgaris: Isolation and Structure Elucidation of Four New Flavonol Glycosides and Nine New α-Ionol-Derived Glycosides

Identifiers

InChI

InChI=1S/C24H42O11/c1-13-6-5-8-22(3,4)24(13,31)9-7-14(2)34-20-18(28)17(27)16(26)15(35-20)10-32-21-19(29)23(30,11-25)12-33-21/h6,14-21,25-31H,5,7-12H2,1-4H3/t14-,15-,16-,17+,18-,19+,20+,21-,23-,24-/m1/s1

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InChIKey

QWCOEYNCDIXGMI-FWANMBCFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QWCOEYNCDIXGMI-FWANMBCFSA-N

(Q105229102)

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2R)-4-[(1S)-1-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]butan-2-yl]oxyoxane-3,4,5-triol

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Identifiers

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