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(Q118260519)
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English
[(6S)-17-(3,5-dihydroxyphenyl)heptadecan-6-yl] hydrogen sulate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
1 reference
based on heuristic
inferred from SMILES
mass
444.25456
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₄₀O₆S
0 references
canonical SMILES
O=S(=O)(O)OC(CCCCC)CCCCCCCCCCCC=1C=C(O)C=C(O)C1
0 references
isomeric SMILES
CCCCC[C@@H](CCCCCCCCCCCc1cc(O)cc(O)c1)OS(=O)(=O)O
0 references
found in taxon
Penicillium solitum
1 reference
stated in
Secondary Metabolites Produced by Combined Culture of Penicillium crustosum and a Xylaria sp
Penicillium crustosum
1 reference
stated in
Secondary Metabolites Produced by Combined Culture of Penicillium crustosum and a Xylaria sp
Identifiers
InChI
InChI=1S/C23H40O6S/c1-2-3-11-15-23(29-30(26,27)28)16-13-10-8-6-4-5-7-9-12-14-20-17-21(24)19-22(25)18-20/h17-19,23-25H,2-16H2,1H3,(H,26,27,28)/t23-/m0/s1
0 references
InChIKey
QULBNEORQUDTJJ-QHCPKHFHSA-N
0 references
PubChem CID
24829340
2 references
stated in
PubChem
retrieved
10 May 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QULBNEORQUDTJJ-QHCPKHFHSA-N
ChEBI ID
188510
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H40O6S/c1-2-3-11-15-23(29-30(26,27)28)16-13-10-8-6-4-5-7-9-12-14-20-17-21(24)19-22(25)18-20/h17-19,23-25H,2-16H2,1H3,(H,26,27,28)/t23-/m0/s1
UniChem compound ID
32993020
1 reference
stated in
UniChem
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