(Q105190143)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

478.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₂

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canonical SMILES

O=C1C(OC2OCC(O)(CO)C2O)=C(OC=3C=C(OC)C(OC)=C(O)C13)C=4C=CC(O)=C(O)C4

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isomeric SMILES

COc1cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC[C@](O)(CO)[C@@H]3O)c(=O)c2c(O)c1OC

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found in taxon

Ageratina calophylla

1 reference

stated in

Flavonoids from ageratina calophylla

Identifiers

InChI

InChI=1S/C22H22O12/c1-30-13-6-12-14(15(26)18(13)31-2)16(27)19(34-21-20(28)22(29,7-23)8-32-21)17(33-12)9-3-4-10(24)11(25)5-9/h3-6,20-21,23-26,28-29H,7-8H2,1-2H3/t20-,21+,22-/m1/s1

0 references

InChIKey

OEAMGGHFQBSAKZ-BHIFYINESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OEAMGGHFQBSAKZ-BHIFYINESA-N

(Q105190143)

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

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