Compounds
ID | Spectrum Quality | Annotated Name |
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COMPOUND NPA005101
PROPERTIES
NPAID | NPA005101 |
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CLUSTER ID | 1693 |
NODE ID | 1382 |
NAME | 4-Chloro-3-methoxybenzaldehyde |
FORMULA | C8H7ClO2 |
MOLECULAR WEIGHT (Da) | 170.5950 |
ACCURATE MASS (Da) | 170.0135 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Lepista |
ORIGIN SPECIES | nuda |
InChIKey | BZCOHGUBYSDFET-UHFFFAOYSA-N |
InChI | InChI=1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3 |
SMILES | COC1=C(C=CC(=C1)C=O)Cl |
ORIGINAL ISOLATION REFERENCE
CITATION | Thaller, V.; Turner, J. L. Natural acetylenes. Part XXXV. Polyacetylenic acid and benzenoid metabolites from cultures of the fungus Lepista diemii singer Journal of the Chemical Society, Perkin Transactions 1 1972 1 (0) 2032-034. | ||
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DOI | 10.1039/p19720002032 | PMID | - |