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CHEBI:192352 - anisotanol B
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ChEBI Name
anisotanol B
ChEBI ID
CHEBI:192352
Definition
A norsesquiterpenoid with formula C
14
H
22
O
3
. It is isolated from
Anisodus tanguticus
.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H22O3
Net Charge
0
Average Mass
238.327
Monoisotopic Mass
238.15689
InChI
InChI=1S/C14H22O3/c1-
7(2)
13(17)
5-
10-
9-
4-
11(15)
12(16)
8(3)
14(9,10)
6-
13/h8-
12,15-
17H,1,4-
6H2,2-
3H3/t8-
,9-
,10-
,11-
,12-
,13+,14-
/m1/s1
InChIKey
WHNDWWLCEPISQJ-ULUKPVBVSA-N
SMILES
[H][C@]12C[C@](O)(C[C@]11[C@H](C)[C@@H](O)[C@H](O)C[C@]21[H])C(C)=C
Metabolite of Species
Details
Anisodus tanguticus
(NCBI:txid243964)
See:
DOI
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
anisotanol B (
CHEBI:192352
)
has role
plant metabolite (
CHEBI:76924
)
anisotanol B (
CHEBI:192352
)
is a
carbotricyclic compound (
CHEBI:38032
)
anisotanol B (
CHEBI:192352
)
is a
sesquiterpenoid (
CHEBI:26658
)
anisotanol B (
CHEBI:192352
)
is a
tertiary allylic alcohol (
CHEBI:134397
)
anisotanol B (
CHEBI:192352
)
is a
triol (
CHEBI:27136
)
IUPAC Name
(2
S
,3a
R
,3b
R
,5
R
,6
R
,7
S
,7a
R
)-
7-
methyl-
2-
(prop-
1-
en-
2-
yl)octahydro-
1
H
-
cyclopenta[1,3]cyclopropa[1,2]benzene-
2,5,6-
triol
Last Modified
07 June 2022