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> Main
CHEBI:70048 - Xylopimarane
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ChEBI Ontology
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ChEBI Name
Xylopimarane
ChEBI ID
CHEBI:70048
Definition
A natural product found in
Xylaria
species.
Stars
This entity has been manually annotated by a third party.
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Formula
C25H36O8
Net Charge
0
Average Mass
464.54850
Monoisotopic Mass
464.24102
InChI
InChI=1S/C25H36O8/c1-
5-
25(4)
10-
8-
12-
13-
7-
6-
9-
24(2,3)
16(13)
18(28)
21(15(12)
22(25)
31)
33-
23-
20(30)
19(29)
17(27)
14(11-
26)
32-
23/h5,14,17,19-
20,22-
23,26-
31H,1,6-
11H2,2-
4H3/t14-
,17-
,19+,20-
,22-
,23-
,25+/m1/s1
InChIKey
GQECNZJTMLRIAM-DWRPHZCTSA-N
SMILES
CC1(C)CCCc2c3CC[C@](C)(C=C)[C@H](O)c3c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
Metabolite of Species
Details
Xylaria
(NCBI:txid37991)
Found in mycelium
(BTO:0001436)
. Ethyl acetate extract of broth and mycelia, fungus isolated from an undefined dead wood of strain BCC 4297 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
Xylopimarane (
CHEBI:70048
)
has role
metabolite (
CHEBI:25212
)
Xylopimarane (
CHEBI:70048
)
is a
O
-acyl carbohydrate (
CHEBI:52782
)
Synonym
Source
(7R,8S)-
8,10-
Dihydroxy-
1,1,7-
trimethyl-
7-
vinyl-
1,2,3,4,5,6,7,8-
octahydro-
9-
phenanthrenyl alpha-
D-
glucopyranoside
ChEBI
Citation
Type
Source
21226484
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenanthrol(CHEBI:25962); ISA:phenanthrenes(CHEBI:25961); ISA:hexose(CHEBI:18133); ISA:glycoside(CHEBI:24400); ISA:tetralins(CHEBI:36786); ISA:phenols(CHEBI:33853); ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:primary alcohol(CHEBI:15734); ISA:aromatic alcohol(CHEBI:33854);