(Q105313225)

English

(1R,2S,3S)-2-formyl-3-[(1R,2S,5R,6R)-1-formyl-6-hydroxy-6-(hydroxymethyl)-2-bicyclo[3.2.1]octanyl]-1,3-dimethylcyclohexane-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-Formyl-3-[1-formyl-6-hydroxy-6-(hydroxymethyl)-2-bicyclo[3.2.1]octanyl]-1,3-dimethylcyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₆

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canonical SMILES

O=CC1C(C(=O)O)(C)CCCC1(C)C2CCC3CC2(C=O)CC3(O)CO

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isomeric SMILES

C[C@@]1([C@@H]2CC[C@@H]3C[C@@]2(C=O)C[C@]3(O)CO)CCC[C@@](C)(C(=O)O)[C@H]1C=O

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found in taxon

Cucurbita maxima

1 reference

stated in

GC/MS analysis of the plant hormones in seeds of Cucurbita maxima

Identifiers

InChI

InChI=1S/C20H30O6/c1-17(6-3-7-18(2,16(24)25)15(17)9-21)14-5-4-13-8-19(14,11-22)10-20(13,26)12-23/h9,11,13-15,23,26H,3-8,10,12H2,1-2H3,(H,24,25)/t13-,14+,15+,17+,18-,19+,20+/m1/s1

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InChIKey

WUQGYBKYEFNLES-ZKJHRSCYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WUQGYBKYEFNLES-ZKJHRSCYSA-N

(Q105313225)

(1R,2S,3S)-2-formyl-3-[(1R,2S,5R,6R)-1-formyl-6-hydroxy-6-(hydroxymethyl)-2-bicyclo[3.2.1]octanyl]-1,3-dimethylcyclohexane-1-carboxylic acid

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