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CHEBI:65555 - Calanolide F

ChEBI IDCHEBI:65555
ChEBI NameCalanolide F
Stars
DefinitionA natural product found in Calophyllum lanigerum var austrocoriaceum and Calophyllum teysmannii var inophylloide.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILESCCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@@H](C)[C@@H]3O
InChIInChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12+,18+/m1/s1
InChIKeyNIDRYBLTWYFCFV-SOZUMNATSA-N
Species of MetaboliteComponentSourceComments
Calophyllum teysmannii var. inophylloide (IPNI:876299-1) stem (BTO:0001300) PubMed (8792623) Previous component: stem bark;
Calophyllum lanigerum var. austrocoriaceum (IPNI:876292-1) stem (BTO:0001300) PubMed (8792623) Previous component: stem bark;
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Calanolide F (CHEBI:65555) has role metabolite (CHEBI:25212)
Calanolide F (CHEBI:65555) is a coumarins (CHEBI:23403)
Synonyms  Source
(10S,11S,12S)-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-11,12-dihydro-2H,6H,10H-dipyrano[2,3-f:2',3'-h]chromen-2-oneChEBI
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')pyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-,(10S,11S,12S)-ChEBI
2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-propyl-, (10S-(10alpha,11alpha,12beta))-ChEBI
Manual XrefsDatabases
0142632335ChemIDplus
Citations