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(Q77371849)
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Pestalachloride C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2,4-dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-7,11b-dihydro-6aH-indeno[2,1-c]chromene-11-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
422.0687791
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(±)-pestalachloride D
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(6aR,11bS)-2,4-dichloro-8,10-dihydroxy-1-methoxy-3,6,6-trimethyl-7,11b-dihydro-6aH-indeno[2,1-c]chromene-11-carbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₀Cl₂O₅
0 references
canonical SMILES
O=CC1=C(O)C=C(O)C2=C1C3C4=C(OC)C(Cl)=C(C(Cl)=C4OC(C)(C)C3C2)C
0 references
isomeric SMILES
CC1=C(C2=C([C@@H]3[C@H](CC4=C3C(=C(C=C4O)O)C=O)C(O2)(C)C)C(=C1Cl)OC)Cl
0 references
found in taxon
Pestalotiopsis adusta
1 reference
stated in
Pestalachlorides A-C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta
Identifiers
InChI
InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15+/m0/s1
0 references
InChIKey
ANCGXXHYXGKUAF-XHDPSFHLSA-N
2 references
stated in
PubChem
PubChem CID
44562123
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44562123
language of work or name
English
PubChem CID
44562123
2 references
stated in
PubChem
PubChem CID
44562123
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ANCGXXHYXGKUAF-XHDPSFHLSA-N
ChEBI ID
202522
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20Cl2O5/c1-8-17(22)19(27-4)16-15-11(21(2,3)28-20(16)18(8)23)5-9-12(25)6-13(26)10(7-24)14(9)15/h6-7,11,15,25-26H,5H2,1-4H3/t11-,15+/m0/s1
UniChem compound ID
594531
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005331
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ANCGXXHYXGKUAF-XHDPSFHLSA-N
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