(Q110193970)

English

butyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

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canonical SMILES

O=C(OC1CC(O)(C(=O)OCCCC)CC(O)C1O)C=CC2=CC=C(O)C=C2

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isomeric SMILES

CCCCOC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)cc2)C1

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found in taxon

Araucaria cunninghamii

1 reference

stated in

Labdane diterpenoids and shikimic acid derivatives from Araucaria cunninghamii

Identifiers

InChI

InChI=1S/C20H26O8/c1-2-3-10-27-19(25)20(26)11-15(22)18(24)16(12-20)28-17(23)9-6-13-4-7-14(21)8-5-13/h4-9,15-16,18,21-22,24,26H,2-3,10-12H2,1H3/t15-,16-,18-,20+/m1/s1

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InChIKey

LOODTFZXXKMJEN-CIWUYKSXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOODTFZXXKMJEN-CIWUYKSXSA-N

(Q110193970)

butyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate

Statements

Identifiers

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