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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:70456 - 2''',5'''-diepisilvestrol
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ChEBI Name
2''',5'''-diepisilvestrol
ChEBI ID
CHEBI:70456
Definition
A natural product found in
Aglaia foveolata
.
Stars
This entity has been manually annotated by a third party.
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Formula
C34H38O13
Net Charge
0
Average Mass
654.65770
Monoisotopic Mass
654.23124
InChI
InChI=1S/C34H38O13/c1-
40-
20-
12-
10-
19(11-
13-
20)
34-
27(18-
8-
6-
5-
7-
9-
18)
26(30(38)
42-
3)
29(37)
33(34,39)
28-
23(41-
2)
14-
21(15-
24(28)
47-
34)
45-
32-
31(43-
4)
44-
17-
25(46-
32)
22(36)
16-
35/h5-
15,22,25-
27,29,31-
32,35-
37,39H,16-
17H2,1-
4H3/t22-
,25+,26+,27+,29+,31-
,32+,33-
,34-
/m0/s1
InChIKey
GVKXFVCXBFGBCD-CABMIHONSA-N
SMILES
[H]
[C@@]
1(CO[C@H]
(OC)
[C@H]
(Oc2cc(OC)
c3c(O[C@]
4([C@@H]
([C@H]
([C@@H]
(O)
[C@@]
34O)
C(=O)
OC)
c3ccccc3)
c3ccc(OC)
cc3)
c2)
O1)
[C@@H]
(O)
CO
Metabolite of Species
Details
Aglaia foveolata
(IPNI:968391-1)
Found in stem
(BTO:0001300)
. Previous component: stem bark; Methanolic extract of dried stem bark 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.
(via
flavagline
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2''',5'''-diepisilvestrol (
CHEBI:70456
)
has role
metabolite (
CHEBI:25212
)
2''',5'''-diepisilvestrol (
CHEBI:70456
)
is a
flavagline (
CHEBI:71504
)
Citation
Type
Source
20939540
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:benzofurans(CHEBI:35259); ISA:stilbenoid(CHEBI:26776); ISA:methoxybenzene(CHEBI:51683); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:aromatic ether(CHEBI:35618); ISA:dioxanes(CHEBI:46926); ISA:carboxylic ester(CHEBI:33308); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:polyol(CHEBI:26191); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:carbonyl compound(CHEBI:36586);