(Q105375384)

English

(1R,15S,16S,17S,18S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.1²,⁶.1⁷,¹¹.1¹⁵,¹⁹.0²⁴,²⁸]dotriaconta-2,4,6(32),7,9,11(31),21,23,28-nonaene-12,25-dione

1 reference

based on heuristic

inferred from SMILES

(16S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.1²,⁶.1⁷,¹¹.1¹⁵,¹⁹.0²⁴,²⁸]dotriaconta-2,4,6(32),7,9,11(31),21,23,28-nonaene-12,25-dione

1 reference

based on heuristic

inferred from SMILES

mass

566.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,15R,16R,17S,18R,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₆O₁₂

0 references

canonical SMILES

O=C1OCC2OC(OC3=CC=4OC(C5=CC=C(O)C(=C5)C6=CC=CC1=C6O)CC(=O)C4C(O)=C3C)C(O)C(O)C2O

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isomeric SMILES

Cc1c2cc3c(c1O)C(=O)C[C@@H](O3)c1ccc(O)c(c1)-c1cccc(c1O)C(=O)OC[C@@H]1O[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Leucothoe keiskei

1 reference

stated in

Novel macrocyclic flavanoid glycosides, toxic components from leucothoe keiskei

Identifiers

InChI

InChI=1S/C29H26O12/c1-11-18-9-20-22(23(11)32)17(31)8-19(39-20)12-5-6-16(30)15(7-12)13-3-2-4-14(24(13)33)28(37)38-10-21-25(34)26(35)27(36)29(40-18)41-21/h2-7,9,19,21,25-27,29-30,32-36H,8,10H2,1H3/t19-,21+,25-,26+,27+,29-/m1/s1

0 references

InChIKey

ZGRAFMJBVGBGRY-XBMMJUOWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZGRAFMJBVGBGRY-XBMMJUOWSA-N

(Q105375384)

(1R,15S,16S,17S,18S,19S)-5,16,17,18,23,31-hexahydroxy-22-methyl-13,20,27,30-tetraoxahexacyclo[19.5.3.12,6.17,11.115,19.024,28]dotriaconta-2(32),3,5,7(31),8,10,21(29),22,24(28)-nonaene-12,25-dione

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