(Q105229905)

English

[(2R,3R,4R,5S,6S)-2-[2-[2,4-dihydroxy-6-[(4-hydroxyphenyl)methoxy]phenyl]-2-oxoethoxy]-5-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[2-[2,4-Dihydroxy-6-[(4-hydroxyphenyl)methoxy]phenyl]-2-oxoethoxy]-5-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

728.210505832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4R,5S,6S)-2-[2-[2,4-dihydroxy-6-[(4-hydroxyphenyl)methoxy]phenyl]-2-oxoethoxy]-5-hydroxy-3-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-6-methyloxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₃₆O₁₄

0 references

canonical SMILES

O=C(OC1C(OCC(=O)C=2C(O)=CC(O)=CC2OCC3=CC=C(O)C=C3)OC(C)C(O)C1OC(=O)C=CC4=CC=C(O)C=C4)C=CC5=CC=C(O)C=C5

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isomeric SMILES

C[C@@H]1O[C@@H](OCC(=O)c2c(O)cc(O)cc2OCc2ccc(O)cc2)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H]1O

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found in taxon

Platanus occidentalis

1 reference

stated in

Methicillin-resistant Staphylococcus aureus (MRSA)-active metabolites from Platanus occidentalis (American Sycamore).

Identifiers

InChI

InChI=1S/C39H36O14/c1-22-36(48)37(52-33(46)16-8-23-2-10-26(40)11-3-23)38(53-34(47)17-9-24-4-12-27(41)13-5-24)39(51-22)50-21-31(45)35-30(44)18-29(43)19-32(35)49-20-25-6-14-28(42)15-7-25/h2-19,22,36-44,48H,20-21H2,1H3/b16-8-,17-9-/t22-,36-,37+,38+,39+/m0/s1

0 references

InChIKey

QXUNGRHXORFDRJ-XRSFSJJUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QXUNGRHXORFDRJ-XRSFSJJUSA-N

1 reference

(Q105229905)

[(2R,3R,4R,5S,6S)-2-[2-[2,4-dihydroxy-6-[(4-hydroxyphenyl)methoxy]phenyl]-2-oxoethoxy]-5-hydroxy-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

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