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ChEBI
> Main
CHEBI:66197 - Tasumatrol J(rel)
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ChEBI Ontology
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ChEBI Name
Tasumatrol J(rel)
ChEBI ID
CHEBI:66197
Definition
A natural product found in
Taxus sumatrana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C29H34O9
Net Charge
0
Average Mass
526.57490
Monoisotopic Mass
526.22028
InChI
InChI=1S/C29H34O9/c1-
15-
11-
12-
27-
20(15)
29(34,24(33)
38-
25(27,3)
4)
26(5)
18(31)
13-
19-
28(14-
35-
19,37-
16(2)
30)
21(26)
22(27)
36-
23(32)
17-
9-
7-
6-
8-
10-
17/h6-
10,18-
19,21-
22,31,34H,11-
14H2,1-
5H3/t18-
,19+,21-
,22-
,26+,27-
,28-
,29+/m0/s1
InChIKey
SVGLRYYOFWEEMV-KKRTVMRJSA-N
SMILES
[H]
[C@@]
12C[C@H]
(O)
[C@]
3(C)
[C@]
([H]
)
([C@H]
(OC(=O)
c4ccccc4)
[C@]
45CCC(C)
=C4[C@@]
3(O)
C(=O)
OC5(C)
C)
[C@@]
1(CO2)
OC(C)
=O
Metabolite of Species
Details
Taxus sumatrana
(NCBI:txid450883)
Found in leaf
(BTO:0000713)
. See:
DOI
Taxus sumatrana
(NCBI:txid450883)
Found in twig
(BTO:0001411)
. 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
Tasumatrol J(rel) (
CHEBI:66197
)
has role
metabolite (
CHEBI:25212
)
Tasumatrol J(rel) (
CHEBI:66197
)
is a
benzoate ester (
CHEBI:36054
)
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:delta-lactone(CHEBI:18946); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:2,2-dimethyl-2,3-dihydro-1-benzofuran-7-ol(CHEBI:38474); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);