(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.04,9]tetracos-12-en-11-one (CHEBI:181578)

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CHEBI:181578 - (1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.04,9]tetracos-12-en-11-one

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ChEBI ID	CHEBI:181578
ChEBI Name	(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.04,9]tetracos-12-en-11-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H34O11
Net Charge	0
Average Mass	462.492
Monoisotopic Mass	462.21011
SMILES	[H][C@@]12OCCC(C)CC/C=C(\C)C(=O)O[C@]3([H])[C@@H](O)[C@@H](O)CO[C@@]3([H])OC[C@@]([H])(O1)[C@@H](O)[C@H](O)[C@H]2O
WURCS	WURCS=2.0/2,2,2/[a2122h-1b_1-5][a211h-1a_1-5]/1-2/a1n1-b2n21OCCC^XCCC=^ECCO2/10=O/9C/5C_a6-b1
InChI	InChI=1S/C21H34O11/c1-10-4-3-5-11(2)19(27)32-18-14(23)12(22)8-29-21(18)30-9-13-15(24)16(25)17(26)20(31-13)28-7-6-10/h5,10,12-18,20-26H,3-4,6-9H2,1-2H3/b11-5+/t10?,12-,13+,14-,15+,16-,17+,18+,20+,21-/m0/s1
InChIKey	OGCGLORCFYTCJG-SBRVMSJJSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-Pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.04,9]tetracos-12-en-11-one (CHEBI:181578) is a disaccharide (CHEBI:36233)

IUPAC Name
(1R,4S,7S,8S,9R,12E,20R,21R,22S,23S)-7,8,21,22,23-pentahydroxy-12,16-dimethyl-3,5,10,19,24-pentaoxatricyclo[18.3.1.04,9]tetracos-12-en-11-one

Manual Xrefs	Databases
29814615	ChemSpider