4'-deoxy-7',8'-dihydroaigialospirol (CHEBI:213532)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213532 - 4'-deoxy-7',8'-dihydroaigialospirol

Take structure to advanced search

ChEBI ID	CHEBI:213532
ChEBI Name	4'-deoxy-7',8'-dihydroaigialospirol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H24O7
Net Charge	0
Average Mass	364.394
Monoisotopic Mass	364.15220
SMILES	COc1cc(O)c2c(c1)[C@@H]([C@H]1CC[C@H](O)[C@@]3(CCC[C@H](C)O3)O1)OC2=O
InChI	InChI=1S/C19H24O7/c1-10-4-3-7-19(25-10)15(21)6-5-14(26-19)17-12-8-11(23-2)9-13(20)16(12)18(22)24-17/h8-10,14-15,17,20-21H,3-7H2,1-2H3/t10-,14+,15-,17-,19+/m0/s1
InChIKey	OJAFRAAQCYCPAI-KALNQIPCSA-N

Species of Metabolite	Component	Source	Comments
Aigialus (ncbitaxon:193126)	-	DOI (10.1016/j.tet.2009.03.050)

ChEBI Ontology

Outgoing Relation(s)
	4'-deoxy-7',8'-dihydroaigialospirol (CHEBI:213532) is a benzofurans (CHEBI:35259)

IUPAC Name
(3S)-7-hydroxy-3-[(2R,5S,6R,8S)-5-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-methoxy-3H-2-benzouran-1-one

Manual Xrefs	Databases
27024205	ChemSpider