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(Q105386707)
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English
[6-Hydroxy-8-methyl-3-[3,4,5-trihydroxy-6-[(4-methoxybenzoyl)oxymethyl]oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
group of stereoisomers with the chemical formula C₃₁H₃₄O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
pinane monoterpenoid
1 reference
inferred from
pinane monoterpenoid
mass
630.194855768
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₃₄O₁₄
0 references
canonical SMILES
O=C(OCC1OC(OC23CC4C5(O)OC(OC2(C)C5)C43COC(=O)C6=CC=C(O)C=C6)C(O)C(O)C1O)C7=CC=C(OC)C=C7
0 references
found in taxon
Paeonia × suffruticosa
1 reference
stated in
Monoterpene glycosides from Paeonia suffruticosa
Identifiers
InChI
InChI=1S/C31H34O14/c1-28-13-30(38)20-11-31(28,29(20,27(44-28)45-30)14-41-25(37)15-3-7-17(32)8-4-15)43-26-23(35)22(34)21(33)19(42-26)12-40-24(36)16-5-9-18(39-2)10-6-16/h3-10,19-23,26-27,32-35,38H,11-14H2,1-2H3
0 references
InChIKey
ZZDSOWSESREIGP-UHFFFAOYSA-N
0 references
PubChem CID
73657286
1 reference
stated in
PubChem
retrieved
6 January 2023
based on heuristic
inferred from InChIKey
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