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(Q75069006)
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English
Pestalochromone B
bioactive natural product
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
8-chloro-6,7-dihydroxy-5-methoxy-2,2-dimethyl-5,6,7,8-tetrahydro-3H-chromen-4-one
1 reference
based on heuristic
inferred from SMILES
mass
276.076451324
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Pestalochromone A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₇ClO₅
0 references
canonical SMILES
O=C1C2=C(OC(C)(C)C1)C(Cl)C(O)C(O)C2OC
0 references
isomeric SMILES
CC1(CC(=O)C2=C(O1)[C@@H]([C@@H]([C@H]([C@H]2OC)O)O)Cl)C
0 references
found in taxon
Pestalotiopsis
1 reference
stated in
Chlorinated chromone and diphenyl ether derivatives from the mangrove-derived fungus Pestalotiopsis sp. PSU-MA69
Rhizophora apiculata
1 reference
stated in
Phthalide and Isocoumarin Derivatives Produced by an Acremonium sp. Isolated from a Mangrove Rhizophora apiculata
Identifiers
InChI
InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3/t7-,8+,9-,11+/m1/s1
0 references
InChIKey
DEZSZDHQEFMIGP-LOKLDPHHSA-N
2 references
stated in
PubChem
PubChem CID
101564924
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
101564924
language of work or name
English
PubChem CID
101564924
2 references
stated in
PubChem
PubChem CID
101564924
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DEZSZDHQEFMIGP-LOKLDPHHSA-N
ChEBI ID
200053
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H17ClO5/c1-12(2)4-5(14)6-10(18-12)7(13)8(15)9(16)11(6)17-3/h7-9,11,15-16H,4H2,1-3H3/t7-,8+,9-,11+/m1/s1
UniChem compound ID
97667879
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA002901
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DEZSZDHQEFMIGP-LOKLDPHHSA-N
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