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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:68939 - Tracheloside
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ChEBI Name
Tracheloside
ChEBI ID
CHEBI:68939
Definition
A natural product found particularly in
Carthamus tinctorius
and
Trachelospermum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C27H34O12
Net Charge
0
Average Mass
550.55170
Monoisotopic Mass
550.20503
InChI
InChI=1S/C27H34O12/c1-
34-
17-
6-
4-
14(9-
19(17)
35-
2)
8-
16-
13-
37-
26(32)
27(16,33)
11-
15-
5-
7-
18(20(10-
15)
36-
3)
38-
25-
24(31)
23(30)
22(29)
21(12-
28)
39-
25/h4-
7,9-
10,16,21-
25,28-
31,33H,8,11-
13H2,1-
3H3/t16-
,21+,22+,23-
,24+,25+,27-
/m0/s1
InChIKey
LWYAMIUSVGPFKS-CGLYQLBNSA-N
SMILES
COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
Metabolite of Species
Details
Carthamus oxyacantha
(NCBI:txid122010)
Found in aerial part
(BTO:0001658)
. Crude ethanolic extract of aerial parts See:
PubMed
Carthamus tinctorius
(NCBI:txid4222)
See:
PubMed
Trachelospermum
(NCBI:txid69388)
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
Tracheloside (
CHEBI:68939
)
has role
metabolite (
CHEBI:25212
)
Tracheloside (
CHEBI:68939
)
is a
glycoside (
CHEBI:24400
)
Tracheloside (
CHEBI:68939
)
is a
lignan (
CHEBI:25036
)
Synonym
Source
2(3H)-
Furanone, 4-
((3,4-
dimethoxyphenyl)methyl)-
3-
((4-
(beta-
D-
glucopyranosyloxy)-
3-
methoxyphenyl)methyl)dihydro-
3-
hydroxy-
, (3S-
cis)-
ChEBI
Registry Number
Type
Source
33464-71-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
22060189
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:lignan(CHEBI:25036); ISA:lactone(CHEBI:25000); ISA:O-acyl carbohydrate(CHEBI:52782); ISA:glycoside(CHEBI:24400); ISA:disaccharide(CHEBI:36233); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:gamma-lactone(CHEBI:37581); ISA:oxanes(CHEBI:46942); ISA:tertiary alcohol(CHEBI:26878); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:acetal(CHEBI:59769); ISA:monocarboxylic acid(CHEBI:25384); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);