(Q105274047)

English

(10S,11R,12S,13R,15S)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-Propanone, 1-[4-[[4,6-O-[[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl]dicarbonyl]-beta-D-glucopyranosyl]oxy]-2,6-dihydroxyphenyl]-3-phenyl-

1 reference

based on heuristic

inferred from SMILES

mass

722.1482995 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₀O₁₇

0 references

canonical SMILES

O=C1OCC2OC(OC3=CC(O)=C(C(=O)CCC=4C=CC=CC4)C(O)=C3)C(O)C(O)C2OC(=O)C5=CC(O)=C(O)C(O)=C5C=6C(O)=C(O)C(O)=CC16

0 references

isomeric SMILES

O=C1OC[C@@H]2O[C@H](Oc3cc(O)c(C(=O)CCc4ccccc4)c(O)c3)[C@@H](O)[C@@H](O)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O

0 references

found in taxon

Thonningia sanguinea

1 reference

stated in

Thonningianins A and B, new antioxidants from the African medicinal herb Thonningia sanguinea

Identifiers

InChI

InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30+,31-,32+,35-/m0/s1

0 references

InChIKey

UJNCWORGHSATHA-MMMBFGCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UJNCWORGHSATHA-MMMBFGCLSA-N

(Q105274047)

(10S,11R,12S,13R,15S)-13-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione

Statements

Identifiers

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