(Q105137693)

English

[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (1s,4s)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylate

chemical compound

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type of chemical entity

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subclass of

[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

632.210505832 dalton

1 reference

1 reference

[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (1r,4r)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₃₆O₁₄

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canonical SMILES

O=C1C(OC2OC(COC(=O)C3CCC(CC3)C(O)(C)C)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

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isomeric SMILES

CC(C)(O)[C@H]1CC[C@@H](C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)CC1

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found in taxon

Eucalyptus cypellocarpa

1 reference

stated in

Cypellogins A, B and C, acylated flavonol glycosides from Eucalyptus cypellocarpa

Identifiers

InChI

InChI=1S/C31H36O14/c1-31(2,41)15-6-3-13(4-7-15)29(40)42-12-21-23(36)25(38)26(39)30(44-21)45-28-24(37)22-19(35)10-16(32)11-20(22)43-27(28)14-5-8-17(33)18(34)9-14/h5,8-11,13,15,21,23,25-26,30,32-36,38-39,41H,3-4,6-7,12H2,1-2H3/t13-,15+,21-,23+,25+,26-,30+/m1/s1

(Q105137693)

[(2R,3R,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl (1s,4s)-4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylate

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