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CHEBI:65554 - Calanolide E2 (diastereoisomer of calanolide E1)
| Formula | C22H28O6 |
| Net Charge | 0 |
| Average Mass | 388.460 |
| Monoisotopic Mass | 388.18859 |
| SMILES | CCCC1CC(=O)Oc2c(C(=O)C(C)C(C)O)c(O)c3c(c21)OC(C)(C)C=C3 |
| InChI | InChI=1S/C22H28O6/c1-6-7-13-10-15(24)27-21-16(13)20-14(8-9-22(4,5)28-20)19(26)17(21)18(25)11(2)12(3)23/h8-9,11-13,23,26H,6-7,10H2,1-5H3 |
| InChIKey | QVXVUACNNIWBIU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 E2 (diastereoisomer of calanolide E1) (CHEBI:65554) has role metabolite (CHEBI:25212) |
| Calanolide E2 (diastereoisomer of calanolide E1) (CHEBI:65554) is a coumarins (CHEBI:23403) |
| Synonyms | Source |
|---|---|
| 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-8-one | ChEBI |
| 2,2-Dimethyl-5-hydroxy-6-(1-oxo-2-methyl-3-hydroxybutyl)-10-propyl-benzo[1,2-b'4,3-b']dipyran-8-one | ChEBI |
| 5-hydroxy-6-(3-hydroxy-2-methylbutanoyl)-2,2-dimethyl-10-propyl-9,10-dihydropyrano[2,3-f]chromen-8-one | ChEBI |
| 2H,8H-benzo[1,2-b:3,4-b']dipyran-8-one, 9,10-dihydro-5-hydroxy-6-(3-hydroxy-2-methyl-1-oxobutyl)-2,2-dimethyl-10-propyl- | ChEBI |
| Citations |
|---|