Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:68101 - bonianic acid B, (rel)-
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
bonianic acid B, (rel)-
ChEBI ID
CHEBI:68101
Definition
A natural product found in
Radermachera boniana
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C32H50O5
Net Charge
0
Average Mass
514.73640
Monoisotopic Mass
514.36582
InChI
InChI=1S/C32H50O5/c1-
19(2)
23(34)
9-
8-
20(3)
22-
12-
14-
29(6)
24-
10-
11-
25-
30(7,27(35)
36)
26(37-
21(4)
33)
13-
15-
31(25)
18-
32(24,31)
17-
16-
28(22,29)
5/h19-
20,22,24-
26H,8-
18H2,1-
7H3,(H,35,36)
/t20-
,22-
,24+,25+,26+,28-
,29+,30+,31-
,32+/m1/s1
InChIKey
ZVKOTDKTSIZJGD-RCYNUSLWSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2(C)
[C@]
3([H]
)
CC[C@@]
4([H]
)
[C@@]
(C)
([C@H]
(CC[C@@]
44C[C@@]
34CC[C@]
12C)
OC(C)
=O)
C(O)
=O)
[C@H]
(C)
CCC(=O)
C(C)
C
Metabolite of Species
Details
Radermachera boniana
(IPNI:110489-1)
Found in twig
(BTO:0001411)
. Ethylacetate extract of dried and ground mixture of twigs and leaves See:
PubMed
Radermachera boniana
(IPNI:110489-1)
Found in leaf
(BTO:0000713)
. Ethylacetate extract of dried and ground mixture of twigs and 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
bonianic acid B, (rel)- (
CHEBI:68101
)
has role
metabolite (
CHEBI:25212
)
bonianic acid B, (rel)- (
CHEBI:68101
)
is a
triterpenoid (
CHEBI:36615
)
Synonyms
Sources
rel-(3beta,9beta)-3-Acetoxy-24-oxo-9,19-cyclolanostan-28-oic acid
ChEBI
rel-3beta-O-acetylcycloart-24-one-28-oic acid
ChEBI
Citation
Type
Source
21469696
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:bile acid(CHEBI:3098); ISA:steroid ester(CHEBI:47880); ISA:steroid acid(CHEBI:47891); ISA:oxo steroid(CHEBI:35789); ISA:hydroxy steroid(CHEBI:35350); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:monocarboxylic acid(CHEBI:25384);