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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:5982 - isoathyriol
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ChEBI Ontology
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ChEBI Name
isoathyriol
ChEBI ID
CHEBI:5982
Definition
A member of the class of xanthones that is 9
H
-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7 and a methoxy group at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C14H10O6
Net Charge
0
Average Mass
274.22560
Monoisotopic Mass
274.04774
InChI
InChI=1S/C14H10O6/c1-19-11-5-10-7(4-8(11)16)14(18)13-9(17)2-6(15)3-12(13)20-10/h2-5,15-17H,1H3
InChIKey
DHIJSMOHBJPOJU-UHFFFAOYSA-N
SMILES
COc1cc2oc3cc(O)cc(O)c3c(=O)c2cc1O
Metabolite of Species
Details
Rhachidosorus mesosorus
(NCBI:txid65707)
See: Phytochemical Dictionary: A Handbook of Bioactive Compounds from Plants
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoathyriol (
CHEBI:5982
)
has role
plant metabolite (
CHEBI:76924
)
isoathyriol (
CHEBI:5982
)
is a
aromatic ether (
CHEBI:35618
)
isoathyriol (
CHEBI:5982
)
is a
polyphenol (
CHEBI:26195
)
isoathyriol (
CHEBI:5982
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
1,3,7-trihydroxy-6-methoxy-9
H
-xanthen-9-one
Synonym
Source
6-Methoxy-1,3,7-trihydroxyxanthone
KEGG COMPOUND
Manual Xrefs
Databases
C00002956
KNApSAcK
C10069
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
279200
Reaxys Registry Number
Reaxys
59092-97-6
CAS Registry Number
KEGG COMPOUND
Last Modified
03 October 2014