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(Q77502504)
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English
Sequoiatone C
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 7-hydroxy-1,7-dimethyl-6-(3-methyl-2-oxononylidene)cyclopenta[c]pyran-5-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C(OC)C1=C2C=COC(=C2C(O)(C1=CC(=O)C(C)CCCCCC)C)C
0 references
isomeric SMILES
CCCCCC[C@H](C)C(=O)/C=C/1\C(=C2C=COC(=C2[C@]1(C)O)C)C(=O)OC
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/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1
0 references
InChIKey
DYUPDLYFDGWNBP-TVXHFNGESA-N
2 references
stated in
PubChem
PubChem CID
10915738
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
10915738
language of work or name
English
PubChem CID
10915738
2 references
stated in
PubChem
PubChem CID
10915738
language of work or name
English
matched by identifier from
InChIKey
InChIKey
DYUPDLYFDGWNBP-TVXHFNGESA-N
ChEBI ID
219036
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)18(23)13-17-19(21(24)26-5)16-11-12-27-15(3)20(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-13+/t14-,22+/m0/s1
UniChem compound ID
213771
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011401
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DYUPDLYFDGWNBP-TVXHFNGESA-N
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