(Q105302714)

English

methyl (1R,3S,7R,7aR)-7-hydroxy-3-methoxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 7-hydroxy-3-methoxy-7-methyl-1-[3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]oxan-2-yl]oxy-3,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

566.199941148 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₄O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC2OC(OC)C(C(=O)OC)=C3CCC(O)(C)C32)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4

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isomeric SMILES

COC(=O)C1=C2CC[C@@](C)(O)[C@@H]2[C@@H](O[C@H]2O[C@@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1OC

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found in taxon

Phlomis brunneogaleata

1 reference

stated in

Inhibiting activities of the secondary metabolites of Phlomis brunneogaleata against parasitic protozoa and plasmodial enoyl-ACP Reductase, a crucial enzyme in fatty acid biosynthesis

Identifiers

InChI

InChI=1S/C27H34O13/c1-27(34)11-10-15-18(23(33)35-2)24(36-3)39-25(19(15)27)40-26-22(32)21(31)20(30)16(38-26)12-37-17(29)9-6-13-4-7-14(28)8-5-13/h4-9,16,19-22,24-26,28,30-32,34H,10-12H2,1-3H3/b9-6+/t16-,19-,20-,21+,22-,24-,25+,26+,27+/m0/s1

0 references

InChIKey

WDVZASUHGJGVQO-XVHOMBRNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WDVZASUHGJGVQO-XVHOMBRNSA-N

(Q105302714)

methyl (1R,3S,7R,7aR)-7-hydroxy-3-methoxy-7-methyl-1-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

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