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> Main
CHEBI:68017 - nigrasin F
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ChEBI Name
nigrasin F
ChEBI ID
CHEBI:68017
Definition
An extended flavonoid that is the 2
S
*-diastereomer of nigrasin E. It has been isolated from the twigs of
Morus nigra
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C25H24O7
Net Charge
0
Average Mass
436.45390
Monoisotopic Mass
436.15220
InChI
InChI=1S/C25H24O7/c1-
12(2)
7-
8-
24-
16-
6-
5-
14(26)
9-
20(16)
31-
25(24,29)
23(28)
21-
17(27)
11-
19-
15(22(21)
32-
24)
10-
18(30-
19)
13(3)
4/h5-
7,9,11,18,26-
27,29H,3,8,10H2,1-
2,4H3/t18-
,24+,25+/m0/s1
InChIKey
HUMOTOGWFSSVMP-PISWEHOVSA-N
SMILES
CC(=C)[C@@H]1Cc2c(O1)cc(O)c1C(=O)[C@@]3(O)Oc4cc(O)ccc4[C@@]3(CC=C(C)C)Oc21
Metabolite of Species
Details
Morus nigra
(NCBI:txid85232)
Found in twig
(BTO:0001411)
. Milled, air-dried twigs were percolated with 95% ethanol 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
nigrasin F (
CHEBI:68017
)
has role
plant metabolite (
CHEBI:76924
)
nigrasin F (
CHEBI:68017
)
is a
extended flavonoid (
CHEBI:71037
)
nigrasin F (
CHEBI:68017
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
nigrasin F (
CHEBI:68017
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
(2
S
*,6a
S
,11b
R
)-
5,6a,9-
trihydroxy-
11b-
(3-
methylbut-
2-
en-
1-
yl)-
2-
(prop-
1-
en-
2-
yl)-
1,2,6a,11b-
tetrahydro-
6
H
-
[1]benzofuro[3,2-
b
]furo[2,3-
h
]chromen-
6-
one
Registry Number
Type
Source
21444288
Reaxys Registry Number
Reaxys
Citation
Type
Source
21401118
PubMed citation
Europe PMC
Last Modified
01 October 2014