(Q104947696)

English

2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[3,4-Dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

494.106040764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₂O₁₃

0 references

canonical SMILES

O=C1C(OC)=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(O)=C(OC4OC(CO)C(O)C(O)C4O)C3

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isomeric SMILES

COc1c(-c2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c2c1=O

0 references

found in taxon

Oenothera speciosa

1 reference

stated in

Myricetin 3-O-methyl ether 3′-O-β-d-glucoside, the major flavonoid of Oenothera speciosa (Onagraceae)

Identifiers

InChI

InChI=1S/C22H22O13/c1-32-21-17(29)14-9(25)4-8(24)5-11(14)33-20(21)7-2-10(26)15(27)12(3-7)34-22-19(31)18(30)16(28)13(6-23)35-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18+,19-,22-/m1/s1

0 references

InChIKey

BWVLOICUZVJWAO-FSFQXNNFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWVLOICUZVJWAO-FSFQXNNFSA-N

1 reference

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

retrieved

15 January 2022

InChIKey

BWVLOICUZVJWAO-FSFQXNNFSA-N

(Q104947696)

2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-3-methoxychromen-4-one

Statements

Identifiers

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