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CHEBI:67679 - Rabdoternin A
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ChEBI Ontology
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ChEBI Name
Rabdoternin A
ChEBI ID
CHEBI:67679
Definition
A natural product found in
Isodon adenolomus
.
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This entity has been manually annotated by a third party.
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Formula
C20H28O6
Net Charge
0
Average Mass
364.43270
Monoisotopic Mass
364.18859
InChI
InChI=1S/C20H28O6/c1-
9-
10-
5-
6-
11-
18-
8-
4-
7-
17(2,3)
12(18)
15(23)
20(25,26-
16(18)
24)
19(11,13(9)
21)
14(10)
22/h10-
15,21-
23,25H,1,4-
8H2,2-
3H3/t10-
,11+,12-
,13-
,14-
,15+,18-
,19+,20-
/m1/s1
InChIKey
DWBNAAUVBIEEOE-PGBLAOAPSA-N
SMILES
[H]
[C@@]
12CC[C@@]
3([H]
)
[C@]
45CCCC(C)
(C)
[C@@]
4([H]
)
[C@H]
(O)
[C@@]
(O)
(OC5=O)
[C@@]
3([C@H]
(O)
C1=C)
[C@@H]
2O
Metabolite of Species
Details
Isodon adenolomus
(NCBI:txid662903)
Found in aerial part
(BTO:0001658)
. 70% aqueous acetone 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
Rabdoternin A (
CHEBI:67679
)
has role
metabolite (
CHEBI:25212
)
Rabdoternin A (
CHEBI:67679
)
is a
diterpene lactone (
CHEBI:49193
)
Synonym
Source
ent-Kaur-16-en-20-oic acid, 6,7,7,14,15-pentahydroxy-, 20,7-lactone, (6beta,7alpha,14R,15beta)-
ChEBI
Registry Number
Type
Source
128887-80-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
21534539
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:kaurane diterpenoid(CHEBI:53666); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:carbonyl compound(CHEBI:36586);