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ChEBI
> Main
CHEBI:132619 - regelin
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ChEBI Name
regelin
ChEBI ID
CHEBI:132619
Definition
A pentacyclic triterpenoid with formula C
31
H
48
O
4
, originally isolated from the roots of
Tripterygium regelii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C31H48O4
Net Charge
0
Average Mass
484.712
Monoisotopic Mass
484.35526
InChI
InChI=1S/C31H48O4/c1-
18-
19(26(34)
35-
8)
17-
24(33)
29(5)
15-
16-
30(6)
20(25(18)
29)
9-
10-
22-
28(4)
13-
12-
23(32)
27(2,3)
21(28)
11-
14-
31(22,30)
7/h9,18-
19,21-
22,24-
25,33H,10-
17H2,1-
8H3/t18-
,19+,21-
,22+,24-
,25+,28-
,29-
,30+,31+/m0/s1
InChIKey
YQPSLCRGQUNTRC-JXIPVQOYSA-N
SMILES
C1C(=O)
C([C@@]
2(CC[C@@]
3([C@]
(CC=C4[C@]
3(CC[C@@]
5([C@@]
4([C@H]
([C@@H]
(C[C@@H]
5O)
C(OC)
=O)
C)
[H]
)
C)
C)
([C@]
2(C1)
C)
[H]
)
C)
[H]
)
(C)
C
Metabolite of Species
Details
Tripterygium regelii
(NCBI:txid123485)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
regelin (
CHEBI:132619
)
has parent hydride
ursane (
CHEBI:35711
)
regelin (
CHEBI:132619
)
has role
plant metabolite (
CHEBI:76924
)
regelin (
CHEBI:132619
)
is a
cyclic ketone (
CHEBI:3992
)
regelin (
CHEBI:132619
)
is a
methyl ester (
CHEBI:25248
)
regelin (
CHEBI:132619
)
is a
pentacyclic triterpenoid (
CHEBI:25872
)
regelin (
CHEBI:132619
)
is a
secondary alcohol (
CHEBI:35681
)
Synonyms
Sources
Methyl 3-oxo-22-hydroxyurs-12-en-30-oic acid
ChemIDplus
Regelin C
ChemIDplus
Manual Xref
Database
163808
PubChem
View more database links
Registry Number
Type
Source
109974-21-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17250858
PubMed citation
Europe PMC
2801129
PubMed citation
Europe PMC
3664820
PubMed citation
Europe PMC
Last Modified
23 November 2016