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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:67891 - ferruginene A, (rel)-
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ChEBI Name
ferruginene A, (rel)-
ChEBI ID
CHEBI:67891
Definition
A natural product found in
Rhododendron ferrugineum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H30O4
Net Charge
0
Average Mass
358.47120
Monoisotopic Mass
358.21441
InChI
InChI=1S/C22H30O4/c1-
12(2)
16(23)
7-
6-
14(4)
15-
8-
9-
22(5,25)
21-
19(15)
20-
17(24)
10-
13(3)
11-
18(20)
26-
21/h10-
11,15-
16,19,21,23-
25H,1,4,6-
9H2,2-
3,5H3/t15-
,16?,19+,21-
,22-
/m0/s1
InChIKey
VEMLNKJUTGWLOB-GKZIPKGRSA-N
SMILES
[H][C@]12Oc3cc(C)cc(O)c3[C@@]1([H])[C@@H](CC[C@]2(C)O)C(=C)CCC(O)C(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 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
ferruginene A, (rel)- (
CHEBI:67891
)
has role
metabolite (
CHEBI:25212
)
ferruginene A, (rel)- (
CHEBI:67891
)
is a
sesquiterpenoid (
CHEBI:26658
)
Synonym
Source
rel-
(5aS,6S,9R,9aR)-
9-
(5-
Hydroxy-
6-
methyl-
1,6-
heptadien-
2-
yl)-
3,6-
dimethyl-
5a,6,7,8,9,9a-
hexahydrodibenzo[b,d]furan-
1,6-
diol
ChEBI
Citation
Type
Source
21443171
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:hydroxytoluene(CHEBI:24751); ISA:toluenes(CHEBI:27024); ISA:aromatic ether(CHEBI:35618); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:aromatic alcohol(CHEBI:33854);