Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00000220643 | Bronze | ReSpect:PS125801&delta-Tocotrienol|8-Methyltocotrienol|(R)-delta-Tocotrienol |
CCMSLIB00000220645 | Bronze | ReSpect:PS125802&delta-Tocotrienol|8-Methyltocotrienol|(R)-delta-Tocotrienol |
CCMSLIB00000220647 | Bronze | ReSpect:PS125803&delta-Tocotrienol|8-Methyltocotrienol|(R)-delta-Tocotrienol |
CCMSLIB00000221729 | Bronze | ReSpect:PT112580&delta-Tocotrienol|8-Methyltocotrienol|(R)-delta-Tocotrienol|(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]chroman-6-ol |
CCMSLIB00000223299 | Bronze | Massbank:PR100479&delta-Tocotrienol|8-Methyltocotrienol|(R)-delta-Tocotrienol |
CCMSLIB00005757344 | Gold | 3 |
CCMSLIB00005758622 | Gold | 3 |
CCMSLIB00005757820 | Gold | 3 |
CCMSLIB00005757870 | Gold | 3 |
CCMSLIB00000850254 | Gold | 1 |
CCMSLIB00012086888 | Gold | 4 |
CCMSLIB00012086885 | Gold | 4 |
CCMSLIB00012086886 | Gold | 4 |
CCMSLIB00012086887 | Gold | 4 |
CCMSLIB00009926685 | Gold | 4 |
CCMSLIB00009926682 | Gold | 4 |
CCMSLIB00009926683 | Gold | 4 |
CCMSLIB00009926684 | Gold | 4 |
COMPOUND NPA019103
PROPERTIES
NPAID | NPA019103 |
---|---|
CLUSTER ID | 4820 |
NODE ID | 3484 |
NAME | R-δ-tocotrienol |
FORMULA | C27H40O2 |
MOLECULAR WEIGHT (Da) | 396.6150 |
ACCURATE MASS (Da) | 396.3028 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Cystophora |
ORIGIN SPECIES | monilifera |
InChIKey | ODADKLYLWWCHNB-LDYBVBFYSA-N |
InChI | InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1 |
SMILES | CC1=C2C(=CC(=C1)O)CC[C@@](O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Brkljača, Robert; Urban, Sylvia HPLC-NMR and HPLC-MS investigation of antimicrobial constituents in Cystophora monilifera and Cystophora subfarcinata Phytochemistry 2015 117 200-208. | ||
---|---|---|---|
DOI | 10.1016/j.phytochem.2015.06.014 | PMID | 26093325 |