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CHEBI:87716 - (−)-dihydroedulan II
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ChEBI Name
(−)-dihydroedulan II
ChEBI ID
CHEBI:87716
ChEBI ASCII Name
(-)-dihydroedulan II
Definition
An organic heterobicyclic compound that is 3,4,4a,5,6,8a-hexahydro-2
H
-1-benzopyran substituted by methyl groups at positions 2, 5, 5 and 8a respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C13H22O
Net Charge
0
Average Mass
194.314
Monoisotopic Mass
194.16707
InChI
InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13-/m0/s1
InChIKey
IVTQSEFLDHBCDZ-LOWVWBTDSA-N
SMILES
[C@@]12(C(CC=C[C@@]2(O[C@H](CC1)C)C)(C)C)[H]
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(−)-dihydroedulan II (
CHEBI:87716
)
has role
metabolite (
CHEBI:25212
)
(−)-dihydroedulan II (
CHEBI:87716
)
is a
organic heterobicyclic compound (
CHEBI:27171
)
(−)-dihydroedulan II (
CHEBI:87716
)
is a
oxacycle (
CHEBI:38104
)
IUPAC Name
(2
S
,4a
R
,8a
S
)-
2,5,5,8a-
tetramethyl-
3,4,4a,5,6,8a-
hexahydro-
2
H
-
1-
benzopyran
Registry Numbers
Types
Sources
41678-32-4
CAS Registry Number
ChemIDplus
4800259
Reaxys Registry Number
Reaxys
Last Modified
27 August 2015