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Calabaxanthone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
392.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₄O₅
0 references
canonical SMILES
O=C1C2=C(OC3=CC=C(OC)C(=C31)CC=C(C)C)C=C4OC(C=CC4=C2O)(C)C
0 references
found in taxon
Calophyllum bracteatum
1 reference
stated in
Xanthones from roots of three calophyllum species
Calophyllum calaba
2 references
stated in
Xanthones from roots of three calophyllum species
stated in
Chemical investigation of ceylonese plants. Part I. Extractives of Calophyllum calaba L. and Calophyllum bracteatum Thw. (Guttiferae)
mangosteen
1 reference
stated in
Chemical Constituents of Garcinia mangostana
Calophyllum tomentosum
1 reference
stated in
Xanthones and triterpenes of Calophyllum tomentosum
Identifiers
InChI
InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3
0 references
InChIKey
PLKQPRRVFTZBAE-UHFFFAOYSA-N
0 references
CAS Registry Number
39011-96-6
1 reference
InChIKey
PLKQPRRVFTZBAE-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=39011-96-6
PubChem CID
341188
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
172627
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3
UniChem compound ID
32017508
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40321281
0 references
DSSTOX compound identifier
DTXCID40272401
0 references
NSC number
372808
0 references
Human Metabolome Database ID
HMDB0030655
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PLKQPRRVFTZBAE-UHFFFAOYSA-N
KNApSAcK ID
C00055288
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PLKQPRRVFTZBAE-UHFFFAOYSA-N
UNII
Y7Z3U6WUB8
1 reference
matched by identifier from
InChIKey
InChIKey
PLKQPRRVFTZBAE-UHFFFAOYSA-N
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