(Q105000087)

English

[(2S,3R,4R,5S,6S)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside

1 reference

based on heuristic

inferred from SMILES

mass

662.184685008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,3S,4R,5S,6S)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₄O₁₆

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canonical SMILES

O=C(OC1C(OC=2C(=O)C3=C(O)C=C(OC4OC(C)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=CC5)OC(C)C(O)C1OC(=O)C)C

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isomeric SMILES

CC(=O)O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@@H](C)[C@H](O)[C@H]1OC(C)=O

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found in taxon

Dryopteris crassirhizoma

1 reference

stated in

Kaempferol acetylrhamnosides from the rhizome of Dryopteris crassirhizoma and their inhibitory effects on three different activities of human immunodeficiency virus-1 reverse transcriptase

Identifiers

InChI

InChI=1S/C31H34O16/c1-11-21(36)24(39)25(40)30(41-11)45-17-9-18(35)20-19(10-17)46-26(15-5-7-16(34)8-6-15)28(23(20)38)47-31-29(44-14(4)33)27(43-13(3)32)22(37)12(2)42-31/h5-12,21-22,24-25,27,29-31,34-37,39-40H,1-4H3/t11-,12-,21-,22-,24+,25+,27+,29+,30-,31-/m0/s1

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InChIKey

FRCCTBPYYAMKIB-REFSOVMKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FRCCTBPYYAMKIB-REFSOVMKSA-N

1 reference

(Q105000087)

[(2S,3R,4R,5S,6S)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate

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Identifiers

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