(Q110189852)

English

2-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₄H₇₃NO₁₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

871.492935256 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₇₃NO₁₆

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC3CCC4(C)C(CCC5C4CCC6(C)C5CC7OC8(NCC(C)CC8)C(C)C76)C3)OC2CO)C(O)C(OC9OCC(O)C(O)C9O)C1O

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found in taxon

tomato

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stated in

Analysis of biologically active compounds in potatoes (Solanum tuberosum), tomatoes (Lycopersicon esculentum), and jimson weed (Datura stramonium) seeds

Identifiers

InChI

InChI=1S/C44H73NO16/c1-19-7-12-44(45-15-19)20(2)30-27(61-44)14-25-23-6-5-21-13-22(8-10-42(21,3)24(23)9-11-43(25,30)4)56-40-35(53)33(51)37(29(17-47)58-40)59-41-36(54)38(32(50)28(16-46)57-41)60-39-34(52)31(49)26(48)18-55-39/h19-41,45-54H,5-18H2,1-4H3

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InChIKey

OOXSVXSQCBGCTK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OOXSVXSQCBGCTK-UHFFFAOYSA-N

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

OOXSVXSQCBGCTK-UHFFFAOYSA-N

(Q110189852)

2-[2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol

Statements

Identifiers

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