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(Q105247838)
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English
Artonin Q
group of stereoisomers with the chemical formula C₃₁H₃₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
530.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₃₀O₈
0 references
canonical SMILES
O=C1C=2C=C(C(=C)C)C3=C(C(=O)CC3(O)C(=O)OC)C2OC=4C1=C(O)C=5C=CC(OC5C4CC=C(C)C)(C)C
0 references
found in taxon
Artocarpus integer
1 reference
stated in
Artonins Q, R, S, T, and U, Five New Isoprenylated Phenoles from the Bark of Artocarpus heterophyllus Lamk
Identifiers
InChI
InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3
0 references
InChIKey
RYPVESRWZADKJR-UHFFFAOYSA-N
0 references
CAS Registry Number
161017-00-1
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
131753034
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
190061
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C31H30O8/c1-14(2)8-9-17-26-16(10-11-30(5,6)39-26)24(33)22-25(34)19-12-18(15(3)4)23-21(28(19)38-27(17)22)20(32)13-31(23,36)29(35)37-7/h8,10-12,33,36H,3,9,13H2,1-2,4-7H3
UniChem compound ID
32012873
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID001099010
1 reference
matched by identifier from
InChIKey
InChIKey
RYPVESRWZADKJR-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0041124
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RYPVESRWZADKJR-UHFFFAOYSA-N
KNApSAcK ID
C00053936
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RYPVESRWZADKJR-UHFFFAOYSA-N
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