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CHEBI:67790 - Blumeaene E1
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ChEBI Name
Blumeaene E1
ChEBI ID
CHEBI:67790
Definition
A natural product found in
Blumea balsamifera
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H30O6
Net Charge
0
Average Mass
366.44860
Monoisotopic Mass
366.20424
InChI
InChI=1S/C20H30O6/c1-
10(2)
13-
9-
14(25-
17(22)
18(5)
12(4)
26-
18)
19(6,23)
20(24)
8-
7-
11(3)
15(20)
16(13)
21/h10,12-
14,23-
24H,7-
9H2,1-
6H3/t12-
,13-
,14-
,18-
,19+,20-
/m0/s1
InChIKey
IKMKRVIHSCZYGK-SOPFVOOMSA-N
SMILES
CC(C)[C@@H]1C[C@H](OC(=O)[C@@]2(C)O[C@H]2C)[C@@](C)(O)[C@]2(O)CCC(C)=C2C1=O
Metabolite of Species
Details
Blumea balsamifera
(NCBI:txid313920)
Found in leaf
(BTO:0000713)
. Methanolic extract 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
Blumeaene E1 (
CHEBI:67790
)
has role
metabolite (
CHEBI:25212
)
Blumeaene E1 (
CHEBI:67790
)
is a
sesquiterpenoid (
CHEBI:26658
)
Citation
Type
Source
21319848
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:epoxide(CHEBI:32955); ISA:carboxylic acid(CHEBI:33575); ISA:tertiary alcohol(CHEBI:26878); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:ketone(CHEBI:17087); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);