(Q105126343)

English

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1R,2R,5S)-4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-(Hydroxymethyl)-6-[[4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

330.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₆O₇

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canonical SMILES

OCC1=CC(OC2OC(CO)C(O)C(O)C2O)C3CC1C3(C)C

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isomeric SMILES

CC1(C)[C@@H]2C[C@H]1[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C=C2CO

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found in taxon

Cineraria dieterlenii

1 reference

stated in

A diels-alder adduct and other constituents from Cineraria species

Cineraria erodioides

1 reference

stated in

A diels-alder adduct and other constituents from Cineraria species

Identifiers

InChI

InChI=1S/C16H26O7/c1-16(2)8-4-9(16)10(3-7(8)5-17)22-15-14(21)13(20)12(19)11(6-18)23-15/h3,8-15,17-21H,4-6H2,1-2H3/t8-,9+,10-,11+,12+,13-,14+,15+/m1/s1

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InChIKey

JEQIDQCYBGSUNF-RGMJYHBDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEQIDQCYBGSUNF-RGMJYHBDSA-N

(Q105126343)

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1R,2R,5S)-4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol

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