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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:3327 - calophyllin B
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ChEBI Name
calophyllin B
ChEBI ID
CHEBI:3327
Definition
A member of the class of xanthones that is 9
H
-xanthen-9-one substituted by hydroxy groups at positions 1 and 5 and a prenyl group at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C18H16O4
Net Charge
0
Average Mass
296.31720
Monoisotopic Mass
296.10486
InChI
InChI=1S/C18H16O4/c1-
10(2)
6-
7-
11-
8-
9-
12-
17(21)
15-
13(19)
4-
3-
5-
14(15)
22-
18(12)
16(11)
20/h3-
6,8-
9,19-
20H,7H2,1-
2H3
InChIKey
APHJPNXEBUUMKB-UHFFFAOYSA-N
SMILES
CC(C)=CCc1ccc2c(oc3cccc(O)c3c2=O)c1O
Metabolite of Species
Details
Calophyllum inophyllum
(NCBI:txid158927)
See:
PubMed
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
calophyllin B (
CHEBI:3327
)
has role
plant metabolite (
CHEBI:76924
)
calophyllin B (
CHEBI:3327
)
is a
polyphenol (
CHEBI:26195
)
calophyllin B (
CHEBI:3327
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
1,5-dihydroxy-6-(3-methylbut-2-en-1-yl)-9
H
-xanthen-9-one
Synonyms
Sources
6-(3,3-Dimethylallyl)-1,5-dihydroxyxanthone
KEGG COMPOUND
guanandin
ChEBI
Manual Xrefs
Databases
C00002944
KNApSAcK
C10054
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
1292035
Reaxys Registry Number
Reaxys
17623-60-8
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
15678383
PubMed citation
Europe PMC
Last Modified
03 October 2014