(Q104920447)

English

[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[4,5-Diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

590.127170132 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4S,5R,6S)-4,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₂₆O₁₅

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canonical SMILES

O=C(OC1C(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)OC(CO)C(OC(=O)C)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@@H]1CO

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found in taxon

Tagetes elliptica

1 reference

stated in

Flavonol glycosides from Tagetes elliptica

Identifiers

InChI

InChI=1S/C27H26O15/c1-10(29)37-23-19(9-28)41-27(26(39-12(3)31)25(23)38-11(2)30)42-24-21(36)20-17(35)7-14(32)8-18(20)40-22(24)13-4-5-15(33)16(34)6-13/h4-8,19,23,25-28,32-35H,9H2,1-3H3/t19-,23+,25+,26-,27+/m1/s1

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InChIKey

AXCXJIKUZOEPMX-STVYCASWSA-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

AXCXJIKUZOEPMX-STVYCASWSA-N

(Q104920447)

[(2R,3S,4S,5R,6S)-4,5-diacetyloxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-2-(hydroxymethyl)oxan-3-yl] acetate

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