(Q104993716)

English

7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7-[(5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

564.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₈O₁₄

0 references

canonical SMILES

O=C1C=C(OC2=CC(OC3OC(CO)C(OC4OCC(O)(CO)C4O)C(O)C3O)=CC(O)=C12)C=5C=CC(O)=CC5

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isomeric SMILES

O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H](O)[C@H]3O)cc(O)c12

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found in taxon

celery

1 reference

stated in

Triterpenoids and flavonoids from celery (Apium graveolens).

Identifiers

InChI

InChI=1S/C26H28O14/c27-8-18-22(40-25-23(34)26(35,9-28)10-36-25)20(32)21(33)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21-,22-,23+,24-,25+,26-/m1/s1

0 references

InChIKey

FDRBRRBUPLHXEM-RXVKCJIPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FDRBRRBUPLHXEM-RXVKCJIPSA-N

(Q104993716)

7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

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