(Q105165712)

English

(3R)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

8-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

1 reference

based on heuristic

inferred from SMILES

mass

492.163161716 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₈O₁₁

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canonical SMILES

O=C1OC(C2=CC(OC)=C(OC)C(OC)=C2)CC=3C=CC=C(OC4OC(CO)C(O)C(O)C4O)C13

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isomeric SMILES

COc1cc([C@H]2Cc3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3C(=O)O2)cc(OC)c1OC

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found in taxon

Gentiana tibetica

1 reference

stated in

Secoiridoid glycosides and an antifungal anthranilate derivative from Gentiana tibetica

Gentiana straminea

1 reference

stated in

Traceability of Geographical Origin in Gentiana straminea by UPLC-Q Exactive Mass and Multivariate Analyses

Identifiers

InChI

InChI=1S/C24H28O11/c1-30-15-8-12(9-16(31-2)22(15)32-3)14-7-11-5-4-6-13(18(11)23(29)33-14)34-24-21(28)20(27)19(26)17(10-25)35-24/h4-6,8-9,14,17,19-21,24-28H,7,10H2,1-3H3/t14-,17-,19-,20+,21-,24-/m1/s1

0 references

InChIKey

MJWZLKCDHYQYPT-JJMUKZPFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MJWZLKCDHYQYPT-JJMUKZPFSA-N

1 reference

(Q105165712)

(3R)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one

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