(Q104949086)

English

methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 5-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

580.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₂O₁₄

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canonical SMILES

O=C(OCC1OC(OC2OC=C(C(=O)OC)C3C(O)C=C(CO)C23)C(O)C(O)C1O)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12

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found in taxon

Oldenlandia herbacea var. herbacea

1 reference

stated in

A new acylated flavonol glycoside and antioxidant effects of Hedyotis diffusa

Identifiers

InChI

InChI=1S/C27H32O14/c1-36-17-7-12(3-5-15(17)29)4-6-19(31)38-11-18-22(32)23(33)24(34)27(40-18)41-26-20-13(9-28)8-16(30)21(20)14(10-39-26)25(35)37-2/h3-8,10,16,18,20-24,26-30,32-34H,9,11H2,1-2H3/b6-4+/t16-,18-,20-,21+,22-,23+,24-,26+,27+/m1/s1

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InChIKey

BYAYDTZMGIUQFP-ROXKEGLVSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104949086)

methyl (1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Statements

Identifiers

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