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> Main
CHEBI:70360 - 3beta-Acetoxyeriocasin D
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ChEBI Name
3beta-Acetoxyeriocasin D
ChEBI ID
CHEBI:70360
Definition
A natural product found in
Isodon eriocalyx
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H34O8
Net Charge
0
Average Mass
450.52200
Monoisotopic Mass
450.22537
InChI
InChI=1S/C24H34O8/c1-
12(10-
25)
15-
6-
7-
17-
16(8-
15)
20(29)
21(30)
22-
23(4,11-
31-
13(2)
26)
19(32-
14(3)
27)
9-
18(28)
24(17,22)
5/h10,15-
19,21-
22,28,30H,1,6-
9,11H2,2-
5H3/t15-
,16-
,17-
,18+,19+,21-
,22-
,23-
,24-
/m1/s1
InChIKey
MTEJSIXALGJBGG-JWWKOUDBSA-N
SMILES
[H]
[C@@]
12C[C@@H]
(CC[C@@]
1([H]
)
[C@]
1(C)
[C@@H]
(O)
C[C@H]
(OC(C)
=O)
[C@@]
(C)
(COC(C)
=O)
[C@@]
1([H]
)
[C@H]
(O)
C2=O)
C(=C)
C=O
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
3beta-Acetoxyeriocasin D (
CHEBI:70360
)
has role
metabolite (
CHEBI:25212
)
3beta-Acetoxyeriocasin D (
CHEBI:70360
)
is a
7α-hydroxy steroid (
CHEBI:36843
)
Synonym
Source
3beta,19-diacetoxy-1alpha,6beta-dihydroxy-7,16-dioxoent-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:11beta-hydroxy steroid(CHEBI:35346); ISA:diterpenoid(CHEBI:23849); ISA:phenanthrenes(CHEBI:25961); ISA:cyclohexanones(CHEBI:23482); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:aldehyde(CHEBI:17478);