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ChEBI
> Main
CHEBI:68088 - Grandilodine B, (rel)-
Main
ChEBI Ontology
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ChEBI Name
Grandilodine B, (rel)-
ChEBI ID
CHEBI:68088
Definition
A natural product found in
Kopsia grandifolia
.
Stars
This entity has been manually annotated by a third party.
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Formula
C24H26N2O7
Net Charge
0
Average Mass
454.47240
Monoisotopic Mass
454.17400
InChI
InChI=1S/C24H26N2O7/c1-
31-
19(28)
16-
14-
22-
9-
8-
18(27)
25(22)
13-
12-
23(20(29)
32-
2)
15-
6-
4-
5-
7-
17(15)
26(21(30)
33-
3)
24(16,23)
11-
10-
22/h4-
9,16H,10-
14H2,1-
3H3/t16-
,22-
,23-
,24-
/m1/s1
InChIKey
VOHFPFMHDXIAOK-JUJUEEDWSA-N
SMILES
COC(=O)[C@H]1C[C@@]23CC[C@@]11N(C(=O)OC)c4ccccc4[C@]1(CCN2C(=O)C=C3)C(=O)OC
Metabolite of Species
Details
Kopsia grandifolia
(IPNI:60436655-2)
Found in stem
(BTO:0001300)
. Previous component: stem bark; stembark extract See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
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
Grandilodine B, (rel)- (
CHEBI:68088
)
has role
metabolite (
CHEBI:25212
)
Grandilodine B, (rel)- (
CHEBI:68088
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Citation
Type
Source
21428274
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:carbonyl compound(CHEBI:36586); ISA:aralkylamine(CHEBI:18000); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:carboxylic ester(CHEBI:33308); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:pyrroline(CHEBI:23763); ISA:carboxamide(CHEBI:37622); ISA:carbamate ester(CHEBI:23003); ISA:tertiary amine(CHEBI:32876); ISA:lactam(CHEBI:24995); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698);