Monocillin II glycoside (CHEBI:214421)

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CHEBI:214421 - Monocillin II glycoside

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ChEBI ID	CHEBI:214421
ChEBI Name	Monocillin II glycoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H28O9
Net Charge	0
Average Mass	448.468
Monoisotopic Mass	448.17333
SMILES	C[C@@H]1C/C=C\CC/C=C\C(=O)Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c2C(=O)O1
InChI	InChI=1S/C23H28O9/c1-13-7-5-3-2-4-6-8-15(25)9-14-10-16(11-17(26)19(14)22(29)30-13)31-23-21(28)20(27)18(12-24)32-23/h3,5-6,8,10-11,13,18,20-21,23-24,26-28H,2,4,7,9,12H2,1H3/b5-3-,8-6-/t13-,18-,20-,21-,23-/m1/s1
InChIKey	CNLXHVSPNBJADX-UJLYCQRWSA-N

Species of Metabolite	Component	Source	Comments
Pochonia (ncbitaxon:243023)	-	PubMed (12828470)

ChEBI Ontology

Outgoing Relation(s)
	Monocillin II glycoside (CHEBI:214421) is a glycoside (CHEBI:24400)

IUPAC Name
(4R,6Z,10Z)-16-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-18-hydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione

Manual Xrefs	Databases
78438581	ChemSpider