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> Main
CHEBI:66490 - 7-O-Nicotinoyl scutebarbatine H, (rel)
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ChEBI Ontology
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ChEBI Name
7-O-Nicotinoyl scutebarbatine H, (rel)
ChEBI ID
CHEBI:66490
Definition
A natural product found in
Scutellaria barbata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C32H34N2O8
Net Charge
0
Average Mass
574.62100
Monoisotopic Mass
574.23152
InChI
InChI=1S/C32H34N2O8/c1-
18-
8-
5-
11-
22-
30(18,2)
25(41-
27(35)
19-
9-
6-
12-
33-
15-
19)
26(42-
28(36)
20-
10-
7-
13-
34-
16-
20)
32(4,38)
31(22,3)
23-
14-
21-
17-
39-
29(37)
24(21)
40-
23/h6-
10,12-
13,15-
16,22-
23,25-
26,38H,5,11,14,17H2,1-
4H3/t22-
,23+,25-
,26-
,30-
,31-
,32-
/m0/s1
InChIKey
SWHUWIGLVRXJBW-IVZGSMFXSA-N
SMILES
[H]
[C@@]
1(CC2=C(O1)
C(=O)
OC2)
[C@]
1(C)
[C@@]
2([H]
)
CCC=C(C)
[C@]
2(C)
[C@@H]
(OC(=O)
c2cccnc2)
[C@H]
(OC(=O)
c2cccnc2)
[C@]
1(C)
O
Metabolite of Species
Details
Scutellaria barbata
(NCBI:txid396367)
Found in aerial part
(BTO:0001658)
. 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
7-O-Nicotinoyl scutebarbatine H, (rel) (
CHEBI:66490
)
has role
metabolite (
CHEBI:25212
)
7-O-Nicotinoyl scutebarbatine H, (rel) (
CHEBI:66490
)
is a
diterpene lactone (
CHEBI:49193
)
Citation
Type
Source
17666848
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:diterpenoid(CHEBI:23849); ISA:pyridines(CHEBI:26421); ISA:aromatic carboxylic acid(CHEBI:33859); ISA:carbonyl compound(CHEBI:36586); ISA:butenolide(CHEBI:50523); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:tertiary alcohol(CHEBI:26878); ISA:lactone(CHEBI:25000); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);