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(Q77373266)
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Sequoiatone F
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
Methyl 7-hydroxy-3,7-dimethyl-6-(3-methyl-2-oxononylidene)-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
376.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (6E,7S,7aR)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (6E,7S,7aS)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
O=C(OC)C1=C2C=C(OCC2C(O)(C1=CC(=O)C(C)CCCCCC)C)C
0 references
isomeric SMILES
CCCCCC[C@H](C)C(=O)/C=C1\C(C(=O)OC)=C2C=C(C)OCC2[C@]1(C)O
0 references
found in taxon
Aspergillus parasiticus
1 reference
stated in
Sequoiatones C-f, constituents of the redwood endophyte Aspergillus parasiticus
Identifiers
InChI
InChI=1S/C22H32O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-12,14,18,25H,6-10,13H2,1-5H3/b17-12+/t14-,18?,22+/m0/s1
0 references
InChIKey
ZSIVCMRKIFUXRS-MUYSIRPJSA-N
2 references
stated in
PubChem
PubChem CID
11728522
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
11728522
language of work or name
English
PubChem CID
11728522
2 references
stated in
PubChem
PubChem CID
11728522
language of work or name
English
matched by identifier from
InChIKey
InChIKey
ZSIVCMRKIFUXRS-MUYSIRPJSA-N
ChEBI ID
202742
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-12,14,18,25H,6-10,13H2,1-5H3/b17-12+/t14-,18?,22+/m0/s1
UniChem compound ID
32701987
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA005582
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZSIVCMRKIFUXRS-MUYSIRPJSA-N
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