(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one (CHEBI:221205)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221205 - (1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one

Take structure to advanced search

ChEBI ID	CHEBI:221205
ChEBI Name	(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H44O11
Net Charge	0
Average Mass	580.671
Monoisotopic Mass	580.28836
SMILES	C[C@@H]1CCC/C=C/[C@@H]2O[C@H](C[C@@H](O)C/C=C\C=C\[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C/C=C/C=C\C(=O)O1)[C@H]2O
InChI	InChI=1S/C30H44O11/c1-19-11-5-2-9-15-22-26(34)23(40-22)17-20(32)12-6-3-7-13-21(14-8-4-10-16-25(33)38-19)39-30-29(37)28(36)27(35)24(18-31)41-30/h3-4,6-10,13,15-16,19-24,26-32,34-37H,2,5,11-12,14,17-18H2,1H3/b6-3-,8-4+,13-7+,15-9+,16-10-/t19-,20+,21+,22+,23-,24-,26+,27-,28+,29-,30-/m1/s1
InChIKey	RTNLIRWEBFXHOU-YTEIOAJYSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one (CHEBI:221205) is a macrolide (CHEBI:25106)

IUPAC Name
(1S,2E,7R,10Z,12E,15R,16E,18Z,21S,23R,25R)-21,25-dihydroxy-7-methyl-15-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,24-dioxabicyclo[21.1.1]pentacosa-2,10,12,16,18-pentaen-9-one

Manual Xrefs	Databases
32675082	ChemSpider