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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:70361 - Eriocasin E
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ChEBI Name
Eriocasin E
ChEBI ID
CHEBI:70361
Definition
A natural product found in
Isodon eriocalyx
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H34O5
Net Charge
0
Average Mass
378.50240
Monoisotopic Mass
378.24062
InChI
InChI=1S/C22H34O5/c1-
12(11-
23)
14-
9-
15-
17(16(10-
14)
27-
13(2)
24)
22(5)
8-
6-
7-
21(3,4)
20(22)
19(26)
18(15)
25/h14-
17,19-
20,23,26H,1,6-
11H2,2-
5H3/t14-
,15+,16+,17-
,19+,20+,22-
/m0/s1
InChIKey
LSHXXXQWPVHVRD-XONTYPPSSA-N
SMILES
[H][C@@]12C[C@@H](C[C@@H](OC(C)=O)[C@@]1([H])[C@]1(C)CCCC(C)(C)[C@@]1([H])[C@H](O)C2=O)C(=C)CO
Metabolite of Species
Details
Isodon eriocalyx
(IPNI:448573-1)
Found in aerial part
(BTO:0001658)
. 70% aqueous Me2CO extract of air-dried and powdered aerial parts 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
Eriocasin E (
CHEBI:70361
)
has role
metabolite (
CHEBI:25212
)
Eriocasin E (
CHEBI:70361
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
11alpha-acetoxy-6beta,16-dihydroxy-7-oxo-ent-abieta-15(17)-ene
ChEBI
Citation
Type
Source
20949916
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenanthrenes(CHEBI:25961); ISA:cyclohexanones(CHEBI:23482); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:primary alcohol(CHEBI:15734);