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(Q104944917)
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English
[4,5-Dihydroxy-6-(hydroxymethyl)-2-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)chromen-8-yl]oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₀O₁₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic chromone
1 reference
inferred from
biogenic chromone
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
570.1737264
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₀O₁₂
0 references
canonical SMILES
O=C(OC1C(O)C(O)C(OC1C2=C(O)C=C(C=3C(=O)C=C(OC32)CC(=O)C)C)CO)C=CC4=CC=C(O)C(OC)=C4
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found in taxon
Aloe arborescens
1 reference
stated in
Studies on the constituents of Aloe arborescens Mill. var. natalensis Berger. II. The structures of two new aloesin esters.
Identifiers
InChI
InChI=1S/C29H30O12/c1-13-8-18(33)24(27-23(13)19(34)11-16(39-27)9-14(2)31)28-29(26(37)25(36)21(12-30)40-28)41-22(35)7-5-15-4-6-17(32)20(10-15)38-3/h4-8,10-11,21,25-26,28-30,32-33,36-37H,9,12H2,1-3H3
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InChIKey
BRMXVUVCULYUAM-UHFFFAOYSA-N
0 references
PubChem CID
73981552
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
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