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ChEBI
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CHEBI:70327 - xanthochymol
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ChEBI Ontology
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ChEBI Name
xanthochymol
ChEBI ID
CHEBI:70327
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:10063
Supplier Information
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Molfile
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Formulae
C38H50O6
C38H50O6
Net Charge
0
Average Mass
602.80000
Monoisotopic Mass
602.36074
InChI
InChI=1S/C38H50O6/c1-
22(2)
11-
13-
27(25(7)
8)
20-
37-
21-
28(15-
12-
23(3)
4)
36(9,10)
38(35(37)
44,18-
17-
24(5)
6)
34(43)
31(33(37)
42)
32(41)
26-
14-
16-
29(39)
30(40)
19-
26/h12,14,16-
17,19,27-
28,39-
40,42H,1,7,11,13,15,18,20-
21H2,2-
6,8-
10H3/t27-
,28+,37+,38-
/m1/s1
InChIKey
ZLMZRAYSIVLUPA-AKAMJVKKSA-N
SMILES
CC(=C)
CC[C@H]
(C[C@]
12C[C@H]
(CC=C(C)
C)
C(C)
(C)
[C@]
(CC=C(C)
C)
(C(=O)
C(C(=O)
c3ccc(O)
c(O)
c3)
=C1O)
C2=O)
C(C)
=C
Metabolite of Species
Details
Rheedia edulis
(NCBI:txid156481)
Found in seed
(BTO:0001226)
. MeOH extract of powdered seeds See:
PubMed
Garcinia livingstonei
(NCBI:txid469932)
Found in fruit
(BTO:0000486)
. 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
xanthochymol (
CHEBI:70327
)
has role
metabolite (
CHEBI:25212
)
xanthochymol (
CHEBI:70327
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
Bicyclo(3.3.1)non-
3-
ene-
2,9-
dione, 3-
(3,4-
dihydroxybenzoyl)-
4-
hydroxy-
8,8-
dimethyl-
1,7-
bis(3-
methyl-
2-
butenyl)-
5-
(5-
methyl-
2-
(1-
methylethenyl)-
5-
hexenyl)-
, (1S-
(1alpha,5alpha,5(S*),7beta))
ChEBI
Xanthochymol
KEGG COMPOUND
Manual Xrefs
Databases
C00003023
KNApSAcK
C09979
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
52617-32-0
CAS Registry Number
KEGG COMPOUND
52617-32-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21028890
PubMed citation
Europe PMC
Last Modified
28 July 2014