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(Q105259703)
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English
Garcimangosone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
460.188588616
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₈O₆
0 references
canonical SMILES
O=C1C2=C(OC3=C(O)C=4C=CC(OC4C(=C13)CC=C(C)C)(C)C)C=C5OC(C=CC5=C2O)(C)C
0 references
found in taxon
mangosteen
3 references
stated in
Three xanthones and a benzophenone from Garcinia mangostana
stated in
Three xanthones and a benzophenone from Garcinia mangostana
stated in
Three xanthones and a benzophenone from Garcinia mangostana
Identifiers
InChI
InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
0 references
InChIKey
SSITWAPGVBPANU-UHFFFAOYSA-N
0 references
PubChem CID
10874207
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
SSITWAPGVBPANU-UHFFFAOYSA-N
ChEBI ID
185604
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C28H28O6/c1-14(2)7-8-16-20-24(31)21-19(13-18-15(22(21)29)9-11-27(3,4)33-18)32-26(20)23(30)17-10-12-28(5,6)34-25(16)17/h7,9-13,29-30H,8H2,1-6H3
SureChEMBL ID
SCHEMBL17056910
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSITWAPGVBPANU-UHFFFAOYSA-N
UniChem compound ID
32011799
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036983
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSITWAPGVBPANU-UHFFFAOYSA-N
KNApSAcK ID
C00045959
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SSITWAPGVBPANU-UHFFFAOYSA-N
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