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(Q105036573)
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English
2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde
group of stereoisomers with the chemical formula C₂₈H₄₀O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
472.282489
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₄₀O₆
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canonical SMILES
O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2(C)CCC3C2C4C(CCC3(O)C)C4(C)C
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found in taxon
Eucalyptus maidenii
1 reference
stated in
Phenolic compounds from the branches of Eucalyptus maideni
Identifiers
InChI
InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3
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InChIKey
IBLPTYJTKWQCDX-UHFFFAOYSA-N
0 references
CAS Registry Number
144372-45-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14807364
2 references
stated in
PubChem
retrieved
10 May 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IBLPTYJTKWQCDX-UHFFFAOYSA-N
ChEBI ID
182046
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3
UniChem compound ID
23388283
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601099606
1 reference
matched by identifier from
InChIKey
InChIKey
IBLPTYJTKWQCDX-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0038704
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IBLPTYJTKWQCDX-UHFFFAOYSA-N
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