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(Q77502595)
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English
(1R,3R,9R,10R,11R,13S)-6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradec-6-en-5-one
1 reference
based on heuristic
inferred from SMILES
mass
278.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₂O₄
0 references
canonical SMILES
O=C1OC2C(=C1CC)CC3(C)C(C)C(O)CC4OC43C2
0 references
isomeric SMILES
CCC1=C2C[C@@]3([C@H]([C@@H](C[C@H]4[C@@]3(O4)C[C@H]2OC1=O)O)C)C
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found in taxon
Xylaria
1 reference
stated in
Eremophilane-Type Sesquiterpenes from the FungusXylariasp. BCC 21097
Identifiers
InChI
InChI=1S/C16H22O4/c1-4-9-10-6-15(3)8(2)11(17)5-13-16(15,20-13)7-12(10)19-14(9)18/h8,11-13,17H,4-7H2,1-3H3/t8-,11+,12+,13-,15+,16-/m0/s1
0 references
InChIKey
YUAHUHWACOPKKP-JDMJGXPFSA-N
2 references
stated in
PubChem
PubChem CID
139586263
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586263
language of work or name
English
PubChem CID
139586263
2 references
stated in
PubChem
PubChem CID
139586263
language of work or name
English
matched by identifier from
InChIKey
InChIKey
YUAHUHWACOPKKP-JDMJGXPFSA-N
ChEBI ID
219112
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H22O4/c1-4-9-10-6-15(3)8(2)11(17)5-13-16(15,20-13)7-12(10)19-14(9)18/h8,11-13,17H,4-7H2,1-3H3/t8-,11+,12+,13-,15+,16-/m0/s1
UniChem compound ID
170909539
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA011415
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YUAHUHWACOPKKP-JDMJGXPFSA-N
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