(Q82961905)

English

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-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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instance of

type of chemical entity

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subclass of

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

1 reference

1 reference

636.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

KXOPSQZLBRPJGX-ILCUHJIVSA-N

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₂O₁₆

0 references

canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)OC2C)C(O)C(O)C1O)C

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isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O

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found in taxon

Rosa multiflora

2 references

stated in

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

stated in

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

Selliguea moulmeinensis

1 reference

stated in

Two afzelechin glycosides from Arthromeris mairei

Rhamnus leptophylla

1 reference

stated in

Flavonol glycosides from the fruits of Rhamus leptophylla

Artocarpus nobilis

1 reference

stated in

Glutathione S-transferase inhibitory, free radical scavenging, and anti-leishmanial activities of chemical constituents of Artocarpus nobilis and Matricaria chamomilla

Macrothelypteris torresiana

1 reference

stated in

Novel flavonoids of Thelypteris torresiana

Identifiers

InChI

InChI=1S/C29H32O16/c1-10-25(44-29-23(38)21(36)19(34)17(43-29)9-40-11(2)30)22(37)24(39)28(41-10)45-27-20(35)18-15(33)7-14(32)8-16(18)42-26(27)12-3-5-13(31)6-4-12/h3-8,10,17,19,21-25,28-29,31-34,36-39H,9H2,1-2H3/t10-,17+,19+,21-,22-,23+,24+,25-,28-,29-/m0/s1

0 references

InChIKey

KXOPSQZLBRPJGX-KEBUVGJQSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

KXOPSQZLBRPJGX-KEBUVGJQSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KXOPSQZLBRPJGX-KEBUVGJQSA-N

DSSTOX compound identifier

DTXCID601404253

0 references

(Q82961905)

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-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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