Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478527 | Silver | Heptelidic&acid&chlorohydrin_130129 |
| CCMSLIB00000478528 | Silver | Heptelidic&acid&chlorohydrin_130129 |
| CCMSLIB00000478529 | Silver | _130130 |
| CCMSLIB00000478530 | Silver | _130130 |
COMPOUND NPA004102
PROPERTIES
| NPAID | NPA004102 |
|---|---|
| CLUSTER ID | 1213 |
| NODE ID | 1031 |
| NAME | Heptelidic acid chlorohydrin |
| FORMULA | C15H21ClO5 |
| MOLECULAR WEIGHT (Da) | 316.7810 |
| ACCURATE MASS (Da) | 316.1078 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hormonema |
| ORIGIN SPECIES | 76 (Phyllosticta sp) |
| InChIKey | BJGUEPXNQKBVBW-RTWAVKEYSA-N |
| InChI | InChI=1S/C15H21ClO5/c1-8(2)10-3-4-15(20,7-16)12-11(10)5-9(13(17)18)6-21-14(12)19/h5,8,10-12,20H,3-4,6-7H2,1-2H3,(H,17,18)/t10-,11-,12-,15-/m1/s1 |
| SMILES | CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Calhoun, Larry A.; Findlay, John A.; Miller, J. David; Whitney, Norman J. Metabolites toxic to spruce budworm from balsam fir needle endophytes Mycological Research 1992 96 (4) 281-286. | ||
|---|---|---|---|
| DOI | 10.1016/s0953-7562(09)80939-8 | PMID | - |
