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(Q77564946)
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Sequoiatone A
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 2,10-dimethyl-5-(2-methyloctanoyl)-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
402.20423868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀O₆
0 references
canonical SMILES
O=C(OC)C1=C2C=C(OCC2C3(OC(=O)C(C(=O)C(C)CCCCCC)=C13)C)C
0 references
isomeric SMILES
CCCCCC[C@H](C)C(=O)C1=C2C(=C3C=C(OC[C@H]3[C@@]2(OC1=O)C)C)C(=O)OC
0 references
found in taxon
Penicillium
1 reference
stated in
Polyketides from Penicillium sp. JP-1, an endophytic fungus associated with the mangrove plant Aegiceras corniculatum
Aspergillus parasiticus
3 references
stated in
Sequoiatones A and B: Novel Antitumor Metabolites Isolated from a Redwood Endophyte
stated in
Sequoiatones A and B: Novel Antitumor Metabolites Isolated from a Redwood Endophyte
stated in
Sequoiatones C-f, constituents of the redwood endophyte Aspergillus parasiticus
Identifiers
InChI
InChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1
0 references
InChIKey
UMDDQZKJZQPILY-LZDDTZTRSA-N
2 references
stated in
PubChem
PubChem CID
9978464
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
9978464
language of work or name
English
PubChem CID
9978464
2 references
stated in
PubChem
PubChem CID
9978464
language of work or name
English
matched by identifier from
InChIKey
InChIKey
UMDDQZKJZQPILY-LZDDTZTRSA-N
ChEBI ID
217039
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H30O6/c1-6-7-8-9-10-13(2)20(24)18-19-17(21(25)27-5)15-11-14(3)28-12-16(15)23(19,4)29-22(18)26/h11,13,16H,6-10,12H2,1-5H3/t13-,16+,23-/m0/s1
UniChem compound ID
32109920
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015412
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UMDDQZKJZQPILY-LZDDTZTRSA-N
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