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> Main
CHEBI:69314 - tsangibeilin B, rel-
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ChEBI Name
tsangibeilin B, rel-
ChEBI ID
CHEBI:69314
Definition
A natural product found in
Beilschmiedia tsangii
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H22O4
Net Charge
0
Average Mass
350.40770
Monoisotopic Mass
350.15181
InChI
InChI=1S/C22H22O4/c23-
22(24)
15-
3-
2-
12-
9-
17-
16(14-
5-
4-
13(15)
20(12)
21(14)
17)
7-
11-
1-
6-
18-
19(8-
11)
26-
10-
25-
18/h1-
6,8,12-
17,20-
21H,7,9-
10H2,(H,23,24)
/t12-
,13+,14-
,15-
,16-
,17+,20-
,21-
/m1/s1
InChIKey
DXINWPCQBUXMER-STJBOKOVSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
[C@H]
(Cc4ccc5OCOc5c4)
[C@@]
4([H]
)
C=C[C@@]
([H]
)
([C@@H]
(C=C1)
C(O)
=O)
[C@]
2([H]
)
[C@@]
34[H]
Metabolite of Species
Details
Beilschmiedia tsangii
(IPNI:462970-1)
Found in root
(BTO:0001188)
. Cold MeOH extract of dry and sliced roots 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
tsangibeilin B, rel- (
CHEBI:69314
)
has role
metabolite (
CHEBI:25212
)
tsangibeilin B, rel- (
CHEBI:69314
)
is a
benzodioxoles (
CHEBI:38298
)
Synonym
Source
rel-
(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-
1-
(1,3-
Benzodioxol-
5-
ylmethyl)-
1a,2,2a,5,5a,7a,7b,7c-
octahydro-
1H-
cyclobuta[bc]acenaphthylene-
5-
carboxylic acid
ChEBI
Citation
Type
Source
21846089
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:benzenoid aromatic compound(CHEBI:33836); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:carbonyl compound(CHEBI:36586);