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> Main
CHEBI:68930 - yadanziolide V
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ChEBI Name
yadanziolide V
ChEBI ID
CHEBI:68930
Definition
A quassinoid isolated from he ethanol extract of the stem of
Brucea mollis
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H26O8
Net Charge
0
Average Mass
382.40490
Monoisotopic Mass
382.16277
InChI
InChI=1S/C19H26O8/c1-
7-
4-
10(21)
27-
16(7)
18(2)
5-
9-
19(3)
11(13(23)
17(25)
26-
9)
8(6-
20)
12(22)
14(24)
15(18)
19/h4,8-
9,11-
16,20,22-
24H,5-
6H2,1-
3H3/t8-
,9-
,11-
,12-
,13-
,14+,15-
,16+,18+,19+/m1/s1
InChIKey
JEIWLRBHCNVSAV-PLDZXSBHSA-N
SMILES
CC1=CC(=O)OC1[C@@]1(C)C[C@H]2OC(=O)[C@H](O)[C@H]3[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1[C@@]23C
Metabolite of Species
Details
Brucea mollis
(NCBI:txid43723)
Found in stem
(BTO:0001300)
. Ethanolic extract of air-dried and powdered stems 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.
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
yadanziolide V (
CHEBI:68930
)
has role
metabolite (
CHEBI:25212
)
yadanziolide V (
CHEBI:68930
)
has role
plant metabolite (
CHEBI:76924
)
yadanziolide V (
CHEBI:68930
)
is a
δ-lactone (
CHEBI:18946
)
yadanziolide V (
CHEBI:68930
)
is a
butenolide (
CHEBI:50523
)
yadanziolide V (
CHEBI:68930
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
yadanziolide V (
CHEBI:68930
)
is a
quassinoid (
CHEBI:72485
)
yadanziolide V (
CHEBI:68930
)
is a
tetrol (
CHEBI:33573
)
IUPAC Name
rel
-
(3
R
,3a
S
,4
S
,5
R
,6
R
,6a
R
,7
S
,8a
R
,8b
S
)-
3,5,6-
trihydroxy-
4-
(hydroxymethyl)-
7,8b-
dimethyl-
7-
[(2
R
)-
3-
methyl-
5-
oxo-
2,5-
dihydrofuran-
2-
yl]decahydro-
2
H
-
cyclopenta[
ij
]isochromen-
2-
one
Registry Number
Type
Source
22123614
Reaxys Registry Number
Reaxys
Citation
Type
Source
22070654
PubMed citation
Europe PMC
Last Modified
08 October 2013