(Q104908357)

English

[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

flavone

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mass

652.163949564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Multinoside A acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₇

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(O)C5)OC2C)C(O)C(O)C1O)C

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@@H]2C)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Rosa multiflora

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stated in

Purgative activity and principals of the fruits of Rosa multiflora and R. wichuraiana

Identifiers

InChI

InChI=1S/C29H32O17/c1-9-25(45-29-23(39)21(37)19(35)17(44-29)8-41-10(2)30)22(38)24(40)28(42-9)46-27-20(36)18-15(34)6-12(31)7-16(18)43-26(27)11-3-4-13(32)14(33)5-11/h3-7,9,17,19,21-25,28-29,31-35,37-40H,8H2,1-2H3/t9-,17-,19-,21+,22+,23-,24+,25+,28-,29+/m1/s1

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InChIKey

AATRYBSLZLJIJX-HIOGWGLOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AATRYBSLZLJIJX-HIOGWGLOSA-N

(Q104908357)

[(2R,3S,4S,5R,6S)-6-[(2R,3R,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Statements

Identifiers

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