Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA009071
PROPERTIES
NPAID | NPA009071 |
---|---|
CLUSTER ID | 255 |
NODE ID | 52 |
NAME | 10-epi-dihydrobotrydial |
FORMULA | C17H28O5 |
MOLECULAR WEIGHT (Da) | 312.4060 |
ACCURATE MASS (Da) | 312.1937 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Botrytis |
ORIGIN SPECIES | cinerea |
InChIKey | QUGYVDURDBEQRB-VZJVBFQISA-N |
InChI | InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14-,16-,17-/m1/s1 |
SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@@]3([C@H]1[C@@H](OC[C@]3(CC2(C)C)C)O)O)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Collado, Isidro G.; Hernández-Galán, Rosario; Prieto, Victoria; Hanson, James R.; Rebordinos, Laureana G. Biologically active sesquiterpenoid metabolites from the fungus Botrytis cinerea Phytochemistry 1996 41 (2) 513-517. | ||
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DOI | 10.1016/0031-9422(95)00643-5 | PMID | - |