(Q105189866)

English

[(3R,4S,5S)-3,4-dihydroxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3,4-Dihydroxy-5-[[3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

608.210505832 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₁₄

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canonical SMILES

O=C(OCC1(O)COC(OCC2OC(OCCC3=CC=C(O)C=C3)C(O)C(O)C2O)C1O)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@]2(O)CO[C@H](OC[C@H]3O[C@@H](OCCc4ccc(O)cc4)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)ccc1O

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found in taxon

Handroanthus impetiginosum

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Handroanthus impetiginosus

1 reference

stated in

Constituents from the bark of Tabebuia impetiginosa

Identifiers

InChI

InChI=1S/C29H36O14/c1-38-20-12-17(4-8-19(20)31)5-9-22(32)41-14-29(37)15-42-28(26(29)36)40-13-21-23(33)24(34)25(35)27(43-21)39-11-10-16-2-6-18(30)7-3-16/h2-9,12,21,23-28,30-31,33-37H,10-11,13-15H2,1H3/b9-5+/t21-,23+,24+,25-,26-,27-,28+,29+/m1/s1

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InChIKey

ODIUJYWRAXKUON-QZAZBYGQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ODIUJYWRAXKUON-QZAZBYGQSA-N

(Q105189866)

[(3R,4S,5S)-3,4-dihydroxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]oxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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