PFAS
全球PFAS筛查数据库
膝沟藻毒素 III(Gonyautoxin III)
gonyautoxin III, 2-phenyl-3-hydroxy-6,7-dihydro-furano-pyrone, gonyautoxin 1, gonyautoxin 3, goniothalenol, gonyautoxin I
CAS号: 60537-65-7
IUPAC名称: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
分子式: C10H17N7O8S
分子量: 395.34900
InChI: InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4-,5-,9-/m0/s1
InChIKey: ARSXTTJGWGCRRR-LJRZAWCWSA-N
SMILES: C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O
EINECS: -
