Samin (CHEBI:174293)

CHEBI:174293 - Samin

Formula	C13H14O5
Net Charge	0
Average Mass	250.250
Monoisotopic Mass	250.08412
SMILES	[H][C@]12CO[C@H](O)[C@@]1([H])CO[C@@H]2c1ccc2c(c1)OCO2
InChI	InChI=1S/C13H14O5/c14-13-9-5-15-12(8(9)4-16-13)7-1-2-10-11(3-7)18-6-17-10/h1-3,8-9,12-14H,4-6H2/t8-,9-,12+,13-/m0/s1
InChIKey	DRUQKRWRXOUEGS-NGERZBJRSA-N

ChEBI Ontology

Outgoing Relation(s)
	Samin (CHEBI:174293) is a benzodioxoles (CHEBI:38298)

IUPAC Name
(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-ol

Manual Xrefs	Databases
9239965	ChemSpider

Registry Numbers	Sources
CAS:166239-82-3	ChemIDplus