(Q105006515)

English

[(2S,3R,4S,5R)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,5-Dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

476.09547608 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4S,5S)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₀O₁₂

0 references

canonical SMILES

O=C(OC1C(O)COC(OC2=C(O)C=C(O)C=3C(=O)C(O)=C(OC23)C=4C=CC(O)=CC4)C1O)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](O)CO[C@@H](Oc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)cc4)oc23)[C@@H]1O

0 references

found in taxon

Rhodiola stephanii

1 reference

stated in

Flavone glycosides ofRhodiola krylovii

Rhodiola rosea

1 reference

stated in

Flavonoids of the rhizomes ofRhodiola rosea. III

Identifiers

InChI

InChI=1S/C22H20O12/c1-8(23)32-19-13(27)7-31-22(17(19)30)34-20-12(26)6-11(25)14-15(28)16(29)18(33-21(14)20)9-2-4-10(24)5-3-9/h2-6,13,17,19,22,24-27,29-30H,7H2,1H3/t13-,17-,19+,22+/m1/s1

0 references

InChIKey

GCVSUIXSUGPZMN-MPXRCLKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GCVSUIXSUGPZMN-MPXRCLKFSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

31 December 2022

InChIKey

GCVSUIXSUGPZMN-MPXRCLKFSA-N

based on heuristic

InChIKey match

(Q105006515)

[(2S,3R,4S,5R)-3,5-dihydroxy-2-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxyoxan-4-yl] acetate

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Identifiers

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