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(Q110169493)
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English
Gregatin G2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
294.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Gregatin G1
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₂O₅
0 references
canonical SMILES
O=C(OC)C=1C(=O)C(OC1CCC)(C=CC=CC(O)C)C
0 references
isomeric SMILES
CCCC1=C(C(=O)OC)C(=O)[C@@](C)(/C=C/C=C/[C@H](C)O)O1
0 references
found in taxon
Penicillium
1 reference
stated in
Antimicrobial Furancarboxylic Acids from a Penicillium sp
Identifiers
InChI
InChI=1S/C16H22O5/c1-5-8-12-13(15(19)20-4)14(18)16(3,21-12)10-7-6-9-11(2)17/h6-7,9-11,17H,5,8H2,1-4H3/b9-6+,10-7+/t11-,16+/m0/s1
0 references
InChIKey
OLFTVRVPEUFOCA-ZMYVDAHDSA-N
0 references
PubChem CID
156581012
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
225497
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H22O5/c1-5-8-12-13(15(19)20-4)14(18)16(3,21-12)10-7-6-9-11(2)17/h6-7,9-11,17H,5,8H2,1-4H3/b9-6+,10-7+/t11-,16+/m0/s1
Natural Product Atlas ID
NPA029546
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OLFTVRVPEUFOCA-ZMYVDAHDSA-N
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