Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:70668 - (-)-(7'S,8'S)-threo-carolignan Y
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(-)-(7'S,8'S)-threo-carolignan Y
ChEBI ID
CHEBI:70668
Definition
A natural product found in
Durio oxleyanus
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C40H42O12
Net Charge
0
Average Mass
714.75430
Monoisotopic Mass
714.26763
InChI
InChI=1S/C40H42O12/c1-
46-
34-
22-
28(9-
16-
31(34)
42)
12-
20-
38(44)
50-
21-
5-
6-
27-
10-
18-
33(36(23-
27)
48-
3)
52-
37(40(49-
4)
29-
13-
17-
32(43)
35(24-
29)
47-
2)
25-
51-
39(45)
19-
11-
26-
7-
14-
30(41)
15-
8-
26/h7-
20,22-
24,37,40-
43H,5-
6,21,25H2,1-
4H3/b19-
11+,20-
12+/t37-
,40-
/m0/s1
InChIKey
XJRGSDSGSICBNP-LJAWTHKASA-N
SMILES
CO[C@H]([C@H](COC(=O)\C=C\c1ccc(O)cc1)Oc1ccc(CCCOC(=O)\C=C\c2ccc(O)c(OC)c2)cc1OC)c1ccc(O)c(OC)c1
Metabolite of Species
Details
Durio oxleyanus
(NCBI:txid117662)
Found in bark
(BTO:0001301)
. Chloroform soluble components of methanolic extract of bark See:
DOI
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
(-)-(7'S,8'S)-threo-carolignan Y (
CHEBI:70668
)
has role
metabolite (
CHEBI:25212
)
(-)-(7'S,8'S)-threo-carolignan Y (
CHEBI:70668
)
is a
phenylpropanoid (
CHEBI:26004
)
Synonym
Source
(-
)-
[(2S,3S)-
3-
(4-
hydroxy-
3-
methoxyphenyl)-
2-
[4-
[3-
[(E)-
3-
(4-
hydroxy-
3-
methoxyphenyl)prop-
2-
enoyl]oxypropyl]-
2-
methoxyphenoxy]-
3-
methoxypropyl](E)-
3-
(4-
hydroxyphenyl)prop-
2-
enoate
ChEBI
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cinnamate ester(CHEBI:36087); ISA:hydroxycinnamic acid(CHEBI:24689); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:benzyl ether(CHEBI:59859); ISA:olefinic compound(CHEBI:78840); ISA:styrenes(CHEBI:26799); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:polyol(CHEBI:26191); ISA:organic heterocyclic compound(CHEBI:24532); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586);