(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE (CHEBI:47366)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47366 - (2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:47366
ChEBI Name	(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE
Stars
Downloads	Molfile

Formula	C21H25ClN2O7
Net Charge	0
Average Mass	452.891
Monoisotopic Mass	452.13503
SMILES	[H]Oc1c([H])c([H])c(Cl)c2c1[C@@]([H])(O[H])[C@]1([H])[C@@]([H])(O[H])[C@@]3([H])C(=O)[C@@]([H])(C(=O)N([H])[H])C(=O)[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@]3([H])C([H])([H])[C@@]1([H])[C@@]2([H])O[H]
InChI	InChI=1S/C21H25ClN2O7/c1-24(2)15-6-5-7-11(17(27)10(6)19(29)14(20(15)30)21(23)31)18(28)13-9(25)4-3-8(22)12(13)16(7)26/h3-4,6-7,10-11,14-18,25-28H,5H2,1-2H3,(H2,23,31)/t6-,7-,10+,11+,14-,15+,16-,17+,18+/m1/s1
InChIKey	DMSXRSJJYGANOR-GARDSWKVSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE (CHEBI:47366) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(2S,4S,4aR,5aS,6S,11R,11aS,12R,12aR)-7-chloro-4-(dimethylamino)-6,10,11,12-tetrahydroxy-1,3-dioxo-1,2,3,4,4a,5,5a,6,11,11a,12,12a-dodecahydrotetracene-2-carboxamide	PDBeChem
(2S,4S,4AR,5AS,6S,11R,11AS,12R,12AR)-7-CHLORO-4-(DIMETHYLAMINO)-6,10,11,12-TETRAHYDROXY-1,3-DIOXO-1,2,3,4,4A,5,5A,6,11,11A,12,12A-DODECAHYDROTETRACENE-2-CARBOXAMIDE	PDBeChem

Manual Xrefs	Databases
D2C	PDBeChem