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Compounds

COMPOUND NPA002084

STRUCTURE
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PROPERTIES
NPAID NPA002084
CLUSTER ID 1279
NODE ID 163
NAME 5a-Cholestan-3beta-ol
FORMULA C27H48O
MOLECULAR WEIGHT (Da) 388.6800
ACCURATE MASS (Da) 388.3705
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Cyanobacterium
ORIGIN SPECIES sp.
InChIKey QYIXCDOBOSTCEI-LFBIJMMSSA-N
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
SMILES C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
ORIGINAL ISOLATION REFERENCE
CITATION Hai, T.; Schneider, B.; Schmidt, J.; Adam, G. Sterols and triterpenoids from the cyanobacterium Anabaena hallensis Phytochemistry 1996 41 (4) 1083-1084.
DOI 10.1016/0031-9422(95)00778-4 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Chroococcales LPSN 1118
Family Cyanobacteriaceae LPSN -
Genus Cyanobacterium LPSN 102234
CLASSYFIRE
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