Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010614
PROPERTIES
NPAID | NPA010614 |
---|---|
CLUSTER ID | 4217 |
NODE ID | 1487 |
NAME | Xylarenic acid |
FORMULA | C15H24O3 |
MOLECULAR WEIGHT (Da) | 252.3540 |
ACCURATE MASS (Da) | 252.1725 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Lasiodiplodia |
ORIGIN SPECIES | sp. |
InChIKey | FMPSNIUPCNLEGV-GJLKANHGSA-N |
InChI | InChI=1S/C15H24O3/c1-9(13(16)17)11-7-14(2,3)8-12-10(11)5-6-15(12,4)18/h10,12,18H,5-8H2,1-4H3,(H,16,17)/b11-9-/t10-,12-,15-/m0/s1 |
SMILES | C/C(=C/1\CC(C[C@H]2[C@H]1CC[C@]2(C)O)(C)C)/C(=O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Hu, Zhi-Yu; Li, Yao-Yao; Huang, Yao-Jian; Su, Wen-Jin; Shen, Yue-Mao Three New Sesquiterpenoids from Xylaria sp. NCY2 Helvetica Chimica Acta 2008 91 (1) 1316-1318. | ||
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DOI | 10.1002/hlca.200890011 | PMID | - |