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(9S *)-8-methyl-9,11-dichlorodiaporthin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(1,3-dichloro-2-hydroxypropyl)-6,8-dimethoxyisochromen-1-one
1 reference
based on heuristic
inferred from SMILES
mass
332.021828908
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(9R *)-8-methyl-9,11-dichlorodiaporthin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₄Cl₂O₅
0 references
canonical SMILES
O=C1OC(=CC=2C=C(OC)C=C(OC)C12)C(Cl)C(O)CCl
0 references
isomeric SMILES
COc1cc(OC)c2c(=O)oc([C@@H](Cl)[C@@H](O)CCl)cc2c1
0 references
found in taxon
Hamigera fusca
1 reference
stated in
Non-geminal Aliphatic Dihalogenation Pattern in Dichlorinated Diaporthins from Hamigera fusca NRRL 35721
Identifiers
InChI
InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-11(13(16)9(17)6-15)21-14(18)12(7)10(5-8)20-2/h3-5,9,13,17H,6H2,1-2H3/t9-,13-/m0/s1
0 references
InChIKey
PXZNVKGVHPZSHR-ZANVPECISA-N
0 references
PubChem CID
139590037
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PXZNVKGVHPZSHR-ZANVPECISA-N
ChEBI ID
209770
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-11(13(16)9(17)6-15)21-14(18)12(7)10(5-8)20-2/h3-5,9,13,17H,6H2,1-2H3/t9-,13-/m0/s1
UniChem compound ID
170912977
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA022701
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PXZNVKGVHPZSHR-ZANVPECISA-N
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