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(Q104992523)
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Isocalanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-phenylcoumarin flavonoid
0 references
mass
424.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₀O₅
0 references
canonical SMILES
O=C1OC2=C3C=CC(OC3=C(C(=O)C=4C=CC=CC4)C(O)=C2C(=C1)C=5C=CC=CC5)(C)C
0 references
found in taxon
Calophyllum teysmannii
3 references
stated in
Minor Coumarins fromCalophyllum teysmannii var.inophylloide and Synthesis of Cytotoxic Calanone Derivatives
stated in
(-)-Ledol fromCalophyllum teysmanii: Structure and Stereochemistry
stated in
Isocalanone, a New Pyranocoumarin fromcAlophyllum teysmannii(Guttiferae)
Identifiers
InChI
InChI=1S/C27H20O5/c1-27(2)14-13-18-25-21(19(15-20(28)31-25)16-9-5-3-6-10-16)24(30)22(26(18)32-27)23(29)17-11-7-4-8-12-17/h3-15,30H,1-2H3
0 references
InChIKey
FAZVFXHNTSBJBV-UHFFFAOYSA-N
0 references
PubChem CID
11004403
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FAZVFXHNTSBJBV-UHFFFAOYSA-N
UniChem compound ID
33214451
1 reference
stated in
UniChem
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