(Q104959153)

English

7-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-[3,4-Dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

608.174120324 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₁₅

0 references

canonical SMILES

O=C1C=C(OC2=CC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)=C(O)C(O)=C12)C=5C=CC(OC)=CC5

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)cc3o2)cc1

0 references

found in taxon

Linaria aeruginea

1 reference

stated in

Identification of scutellarein 4′-methyl ether in Linaria aeruginea

Identifiers

InChI

InChI=1S/C28H32O15/c1-10-26(43-28-24(36)22(34)20(32)17(9-29)42-28)23(35)25(37)27(39-10)41-16-8-15-18(21(33)19(16)31)13(30)7-14(40-15)11-3-5-12(38-2)6-4-11/h3-8,10,17,20,22-29,31-37H,9H2,1-2H3/t10-,17+,20+,22-,23-,24+,25+,26-,27+,28-/m0/s1

0 references

InChIKey

CHRDJRUJPDDTRH-KUQPPIBHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CHRDJRUJPDDTRH-KUQPPIBHSA-N

(Q104959153)

7-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

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