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(Q110169527)
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Benwamycin D
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C(OC(C(C(=O)C)C)C(C1=CC=C(C=C1C=CCO)CO)C)CC
0 references
isomeric SMILES
CCC(=O)O[C@@H]([C@H](C)C(C)=O)[C@@H](C)c1ccc(CO)cc1/C=C/CO
0 references
found in taxon
Streptomyces
1 reference
stated in
Benwamycins A-G, Trialkyl-Substituted Benzene Derivatives from a Soil-Derived Streptomyces
Identifiers
InChI
InChI=1S/C20H28O5/c1-5-19(24)25-20(13(2)15(4)23)14(3)18-9-8-16(12-22)11-17(18)7-6-10-21/h6-9,11,13-14,20-22H,5,10,12H2,1-4H3/b7-6+/t13-,14+,20+/m1/s1
0 references
InChIKey
KXWCDNGXRAPJLE-XSMXVWRTSA-N
0 references
PubChem CID
155567424
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXWCDNGXRAPJLE-XSMXVWRTSA-N
ChEBI ID
225652
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H28O5/c1-5-19(24)25-20(13(2)15(4)23)14(3)18-9-8-16(12-22)11-17(18)7-6-10-21/h6-9,11,13-14,20-22H,5,10,12H2,1-4H3/b7-6+/t13-,14+,20+/m1/s1
UniChem compound ID
186845335
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA029579
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KXWCDNGXRAPJLE-XSMXVWRTSA-N
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