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CHEBI:69978 - Agatharesinol acetonide
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ChEBI Ontology
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ChEBI Name
Agatharesinol acetonide
ChEBI ID
CHEBI:69978
Definition
A natural product found in
Metasequoia glyptostroboides
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H22O4
Net Charge
0
Average Mass
326.38630
Monoisotopic Mass
326.15181
InChI
InChI=1S/C20H22O4/c1-
20(2)
23-
13-
19(24-
20)
18(15-
6-
10-
17(22)
11-
7-
15)
12-
5-
14-
3-
8-
16(21)
9-
4-
14/h3-
12,18-
19,21-
22H,13H2,1-
2H3/b12-
5+/t18-
,19+/m0/s1
InChIKey
DGNCNVJVRJKHEP-ORFBMEDESA-N
SMILES
[H][C@@]1(COC(C)(C)O1)[C@@H](\C=C\c1ccc(O)cc1)c1ccc(O)cc1
Metabolite of Species
Details
Metasequoia glyptostroboides
(NCBI:txid3371)
Found in stem
(BTO:0001300)
. 95% ethanolic extract of air-dried, powdered stems and leaves See:
PubMed
Metasequoia glyptostroboides
(NCBI:txid3371)
Found in leaf
(BTO:0000713)
. 95% ethanolic extract of air-dried, powdered stems and leaves 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
Agatharesinol acetonide (
CHEBI:69978
)
has role
metabolite (
CHEBI:25212
)
Agatharesinol acetonide (
CHEBI:69978
)
is a
phenols (
CHEBI:33853
)
Citation
Type
Source
21226514
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:styrenes(CHEBI:26799); ISA:phenols(CHEBI:33853); ISA:dioxolane(CHEBI:39430); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854);