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(Q74417385)
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English
(+)-eremophilene
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
sesquiterpene
0 references
(3R,5S)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
1 reference
based on heuristic
inferred from SMILES
valencene
1 reference
based on heuristic
inferred from SMILES
mass
204.187800768
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
valencene
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(-)-4-epi-eremophilene
1 reference
based on heuristic
inferred from InChI
eremophilene
1 reference
based on heuristic
inferred from InChI
(-)-5-epi-eremophilene
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄
0 references
canonical SMILES
C=C(C)C1CCC2=CCCC(C)C2(C)C1
0 references
isomeric SMILES
C=C(C)[C@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1
0 references
found in taxon
Valeriana officinalis
1 reference
stated in
On terpenes. CLXXVII. The composition of valerian oil (Valeriana officinalis L.)
Picea glehnii
1 reference
stated in
Mono- and sesquiterpenoids of the oleoresin of Picea glehnii
Sorangium cellulosum
2 references
stated in
Characterization of the gene cluster CYP264B1-geoA from Sorangium cellulosum So ce56: biosynthesis of (+)-eremophilene and its hydroxylation.
stated in
On terpenes. CLXIX. Structure of eremophilene
Identifiers
InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m1/s1
0 references
InChIKey
QEBNYNLSCGVZOH-IPYPFGDCSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
6431897
1 reference
matched by identifier from
InChIKey
InChIKey
QEBNYNLSCGVZOH-IPYPFGDCSA-N
Reaxys registry number
27804327
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
137562
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m1/s1
UniChem compound ID
51699955
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA009636
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QEBNYNLSCGVZOH-IPYPFGDCSA-N
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