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Arabelline
(Q104999723)
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From Wikidata
chemical compound
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Language
Label
Description
Also known as
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English
Arabelline
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
9-(2H-1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3H-naphtho[2,3-c]furan-1-one
1 reference
based on heuristic
inferred from SMILES
mass
674.184685008
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₃₂H₃₄O₁₆
0 references
canonical SMILES
O=C1OCC=2C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)=C5C=C(OC)C(OC)=CC5=C(C=6C=CC=7OCOC7C6)C12
0 references
isomeric SMILES
COc1cc2c(O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
0 references
found in taxon
Haplophyllum buxbaumii
1 reference
stated in
Chemical Constituents of the Flora of Jordan, Part V-B. Three New Arylnaphthalene Lignan Glucosides from Haplophyllum buxbaumii
Haplophyllum patavinum
1 reference
stated in
Patavine, a new arylnaphthalene lignan glycoside from shoot cultures of Haplophyllum patavinum
Identifiers
InChI
InChI=1S/C32H34O16/c1-40-18-6-13-14(7-19(18)41-2)29(15-8-42-30(39)23(15)22(13)12-3-4-17-20(5-12)46-11-45-17)48-32-28(38)26(36)25(35)21(47-32)10-44-31-27(37)24(34)16(33)9-43-31/h3-7,16,21,24-28,31-38H,8-11H2,1-2H3/t16-,21+,24-,25+,26-,27+,28+,31-,32-/m0/s1
0 references
InChIKey
FQMUJJZFGOZSSZ-CCCWDYDVSA-N
0 references
PubChem CID
14731306
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FQMUJJZFGOZSSZ-CCCWDYDVSA-N
UniChem compound ID
97299961
1 reference
stated in
UniChem
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