Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA024232
PROPERTIES
NPAID | NPA024232 |
---|---|
CLUSTER ID | 2269 |
NODE ID | 1797 |
NAME | 3,14,25-Trihydroxy-24-hydroxymethylergosta-7,22-dien-6-one |
FORMULA | C28H44O5 |
MOLECULAR WEIGHT (Da) | 460.6550 |
ACCURATE MASS (Da) | 460.3189 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Flammulina |
ORIGIN SPECIES | velutipes |
InChIKey | KZXSEYDTLJXXRM-DQXYIBCXSA-N |
InChI | InChI=1S/C28H44O5/c1-17(6-7-18(16-29)25(2,3)32)20-10-13-28(33)22-15-24(31)23-14-19(30)8-11-26(23,4)21(22)9-12-27(20,28)5/h6-7,15,17-21,23,29-30,32-33H,8-14,16H2,1-5H3/b7-6+/t17-,18-,19+,20-,21+,23-,26-,27-,28-/m1/s1 |
SMILES | C[C@H](/C=C/[C@H](CO)C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence Journal of Organic Chemistry 2016 81 (20) 9867-9877. | ||
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DOI | 10.1021/acs.joc.6b01971 | PMID | 27684789 |