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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:67894 - uvaol
Main
ChEBI Ontology
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ChEBI Name
uvaol
ChEBI ID
CHEBI:67894
Definition
A natural product found in
Rhododendron ferrugineum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C30H50O2
Net Charge
0
Average Mass
442.71680
Monoisotopic Mass
442.38108
InChI
InChI=1S/C30H50O2/c1-
19-
10-
15-
30(18-
31)
17-
16-
28(6)
21(25(30)
20(19)
2)
8-
9-
23-
27(5)
13-
12-
24(32)
26(3,4)
22(27)
11-
14-
29(23,28)
7/h8,19-
20,22-
25,31-
32H,9-
18H2,1-
7H3/t19-
,20+,22+,23-
,24+,25+,27+,28-
,29-
,30-
/m1/s1
InChIKey
XUARCIYIVXVTAE-ZAPOICBTSA-N
SMILES
[H]
[C@@]
12CC[C@]
3(C)
[C@]
([H]
)
(CC=C4[C@]
5([H]
)
[C@@H]
(C)
[C@H]
(C)
CC[C@]
5(CO)
CC[C@@]
34C)
[C@@]
1(C)
CC[C@H]
(O)
C2(C)
C
Metabolite of Species
Details
Rhododendron ferrugineum
(NCBI:txid49622)
Found in leaf
(BTO:0000713)
. MeOH extract of CHCl3 soluble fraction of air-dried,powdered leaves,uvaol & erythrodiol mixture See:
PubMed
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
uvaol (
CHEBI:67894
)
has role
metabolite (
CHEBI:25212
)
uvaol (
CHEBI:67894
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
(3beta)-Urs-12-ene-3,28-diol
ChEBI
Manual Xref
Database
HMDB0002391
HMDB
View more database links
Registry Number
Type
Source
545-46-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21443171
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:primary alcohol(CHEBI:15734);