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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:68376 - Obovatin
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ChEBI Name
Obovatin
ChEBI ID
CHEBI:68376
Definition
A natural product found in
Dalea boliviana
and
Tephrosia
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H18O4
Net Charge
0
Average Mass
322.35450
Monoisotopic Mass
322.12051
InChI
InChI=1S/C20H18O4/c1-
20(2)
9-
8-
13-
17(24-
20)
11-
15(22)
18-
14(21)
10-
16(23-
19(13)
18)
12-
6-
4-
3-
5-
7-
12/h3-
9,11,16,22H,10H2,1-
2H3/t16-
/m0/s1
InChIKey
VYVZELWVPQMZDE-INIZCTEOSA-N
SMILES
CC1(C)Oc2cc(O)c3C(=O)C[C@H](Oc3c2C=C1)c1ccccc1
Metabolite of Species
Details
Dalea boliviana
(IPNI:76040-2)
Found in root
(BTO:0001188)
. n-hexane extract of dried, powdered roots See:
PubMed
Tephrosia
(NCBI:txid47097)
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
Obovatin (
CHEBI:68376
)
has role
metabolite (
CHEBI:25212
)
Obovatin (
CHEBI:68376
)
is a
extended flavonoid (
CHEBI:71037
)
Synonym
Source
(-)-(2S)-5-Hydroxy-6'',6''-dimethylchromeno-(7,8:2'',3'')-flavanone
ChEBI
Citation
Type
Source
21226489
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:flavanones(CHEBI:28863); ISA:hydroxyflavonoid(CHEBI:71968); ISA:chromenes(CHEBI:23232); ISA:1-benzopyran(CHEBI:38443); ISA:chromones(CHEBI:23238); ISA:aromatic ketone(CHEBI:76224); ISA:phenols(CHEBI:33853); ISA:aromatic ether(CHEBI:35618); ISA:enol(CHEBI:33823); ISA:enone(CHEBI:51689); ISA:enol ether(CHEBI:47985); ISA:aromatic alcohol(CHEBI:33854);