(Q105228937)

English

methyl (1S,7R,17S,18S,20E)-12-(3,4-dihydroxyphenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxatricyclo[13.3.1.13,7]icos-5-ene-6-carboxylate

group of stereoisomers with the chemical formula C₂₅H₃₀O₁₃

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instance of

group of stereoisomers

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subclass of

secoiridoid monoterpenoid

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inferred from

secoiridoid monoterpenoid

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538.1686410199999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₀O₁₃

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canonical SMILES

O=C(OC)C1=COC2OC3OC(COC(C4=CC=C(O)C(O)=C4)COC(=O)CC1C2=CC)C(O)C(O)C3O

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isomeric SMILES

C/C=C1/C2OC=C(C(=O)OC)[C@@H]1CC(=O)OCC(c1ccc(O)c(O)c1)OCC1O[C@@H](O2)[C@@H](O)[C@@H](O)C1O

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Identifiers

InChI

InChI=1S/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/b12-3+/t13-,17?,18?,20?,21+,22+,24?,25+/m1/s1

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InChIKey

QVUZRUJONIJRDT-YLUXTXQUSA-N

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PubChem CID

102461564

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QVUZRUJONIJRDT-YLUXTXQUSA-N

1 reference

(Q105228937)

methyl (1S,7R,17S,18S,20E)-12-(3,4-dihydroxyphenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxatricyclo[13.3.1.13,7]icos-5-ene-6-carboxylate

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Identifiers

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