(Q104946188)

English

(E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

biogenic alkylphenol

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mass

326.100167536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₈O₈

0 references

canonical SMILES

O=C(C=CC=1C=CC=CC1O)C(=O)C(O)C(O)C(O)C(O)CO

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isomeric SMILES

O=C(/C=C/c1ccccc1O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

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found in taxon

Ageratina tinifolia

1 reference

stated in

A monoterpene glucoside from Eupatorium tinifolium

Identifiers

InChI

InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-5-8-3-1-2-4-9(8)17/h1-6,11,13-17,19,21-23H,7H2/b6-5+/t11-,13-,14+,15+/m1/s1

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InChIKey

BUNVNWZTWWZAPP-YSGQUSEASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUNVNWZTWWZAPP-YSGQUSEASA-N

(Q104946188)

(E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(2-hydroxyphenyl)non-1-ene-3,4-dione

Statements

Identifiers

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