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(Q105283234)
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English
Methyl 7-(hydroxymethyl)-5-[3-(4-methoxyphenyl)prop-2-enoyloxy]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
group of stereoisomers with the chemical formula C₂₇H₃₂O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
iridoid
1 reference
inferred from
iridoid
mass
564.184291084
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₃₂O₁₃
0 references
canonical SMILES
O=C(OC1C=C(CO)C2C(OC=C(C(=O)OC)C12)OC3OC(CO)C(O)C(O)C3O)C=CC4=CC=C(OC)C=C4
0 references
found in taxon
Scleromitrion diffusum
2 references
stated in
Evaluation of human neutrophil elastase inhibitory effect of iridoid glycosides from Hedyotis diffusa
stated in
Neuroprotective constituents from Hedyotis diffusa
Identifiers
InChI
InChI=1S/C27H32O13/c1-35-15-6-3-13(4-7-15)5-8-19(30)38-17-9-14(10-28)20-21(17)16(25(34)36-2)12-37-26(20)40-27-24(33)23(32)22(31)18(11-29)39-27/h3-9,12,17-18,20-24,26-29,31-33H,10-11H2,1-2H3
0 references
InChIKey
VBHBNHXZBKWQNO-UHFFFAOYSA-N
0 references
PubChem CID
75052157
2 references
stated in
PubChem
retrieved
10 May 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBHBNHXZBKWQNO-UHFFFAOYSA-N
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