(Q104983380)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

5,6-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

478.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₂O₁₂

0 references

canonical SMILES

O=C1C(OC)=C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C(O)=C12)C=4C=CC(O)=CC4

0 references

isomeric SMILES

COc1c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c2c1=O

0 references

found in taxon

Neurolaena oaxacana

1 reference

stated in

New 6-hydroxyflavonoids and their methyl ethers and glycosides from Neurolaena oaxacana

Identifiers

InChI

InChI=1S/C22H22O12/c1-31-21-17(28)13-10(32-20(21)8-2-4-9(24)5-3-8)6-11(14(25)16(13)27)33-22-19(30)18(29)15(26)12(7-23)34-22/h2-6,12,15,18-19,22-27,29-30H,7H2,1H3/t12-,15-,18+,19-,22-/m1/s1

0 references

InChIKey

DKJSFZFROHHPOX-GUOJVKGFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

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

retrieved

15 January 2022

InChIKey

DKJSFZFROHHPOX-GUOJVKGFSA-N

(Q104983380)

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

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