(Q105265229)

English

2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

284.089602852 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₆O₇

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canonical SMILES

O=C(O)C=1C=CC=CC1C2OC(CO)C(O)C(O)C2O

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isomeric SMILES

O=C(O)c1ccccc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Crescentia cujete

1 reference

stated in

n-Alkyl glycosides and p-hydroxybenzoyloxy glucose from fruits of Crescentia cujete

Identifiers

InChI

InChI=1S/C13H16O7/c14-5-8-9(15)10(16)11(17)12(20-8)6-3-1-2-4-7(6)13(18)19/h1-4,8-12,14-17H,5H2,(H,18,19)/t8-,9-,10+,11-,12+/m1/s1

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InChIKey

TVEHVOCRWQKVTM-ZIQFBCGOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVEHVOCRWQKVTM-ZIQFBCGOSA-N

(Q105265229)

2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acid

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