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Thiocarboxylic C2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
348.10314474
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Thiocarboxylic C1
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₂₀O₅S
0 references
canonical SMILES
O=C(OC)C=1C(=O)C(OC1C=2C=CSC2C)(C=CC=CC(O)C)C
0 references
isomeric SMILES
COC(=O)C1=C(c2ccsc2C)O[C@](C)(/C=C/C=C/[C@H](C)O)C1=O
0 references
found in taxon
Penicillium
1 reference
stated in
Antimicrobial Furancarboxylic Acids from a Penicillium sp
Identifiers
InChI
InChI=1S/C18H20O5S/c1-11(19)7-5-6-9-18(3)16(20)14(17(21)22-4)15(23-18)13-8-10-24-12(13)2/h5-11,19H,1-4H3/b7-5+,9-6+/t11-,18+/m0/s1
0 references
InChIKey
ZQQAGLDUCINCOJ-FZWXBTSHSA-N
0 references
PubChem CID
156581006
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZQQAGLDUCINCOJ-FZWXBTSHSA-N
ChEBI ID
225468
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H20O5S/c1-11(19)7-5-6-9-18(3)16(20)14(17(21)22-4)15(23-18)13-8-10-24-12(13)2/h5-11,19H,1-4H3/b7-5+,9-6+/t11-,18+/m0/s1
Natural Product Atlas ID
NPA029540
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZQQAGLDUCINCOJ-FZWXBTSHSA-N
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