(Q105168222)

English

[(2S,3S,4R,5S,6R)-5-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

610.189770388 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₄O₁₅

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canonical SMILES

O=C(OC1C(O)C(OC2OCC(O)(CO)C2O)C(OCCC3=CC=C(O)C(O)=C3)OC1CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](CO)O[C@@H](OCCc2ccc(O)c(O)c2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@@H]1O

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found in taxon

Lepisorus contortus

1 reference

stated in

Bioactive compounds from the fern Lepisorus contortus

Identifiers

InChI

InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)22(36)24(43-27-25(37)28(38,12-30)13-40-27)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2/b6-3+/t20-,22+,23+,24-,25+,26+,27-,28-/m0/s1

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InChIKey

MNAIMEPYDVJSJU-UUKKUWTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNAIMEPYDVJSJU-UUKKUWTFSA-N

(Q105168222)

[(2S,3S,4R,5S,6R)-5-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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