EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:201054 - SO-75R1

ChEBI IDCHEBI:201054
ChEBI NameSO-75R1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O11
Net Charge0
Average Mass544.553
Monoisotopic Mass544.19446
SMILESCOc1c(C)ccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)C[C@@H]3O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC)[C@H]1O
InChIInChI=1S/C28H32O11/c1-10-6-7-12-16(25(10)36-4)23(33)18-17(20(12)30)21(31)13-8-28(3,35)9-14(15(13)22(18)32)39-27-24(34)26(37-5)19(29)11(2)38-27/h6-7,11,14,19,24,26-27,29,31-32,34-35H,8-9H2,1-5H3/t11-,14-,19-,24+,26+,27-,28+/m0/s1
InChIKeyFYHKGQZAUWDZBL-AFJFITPDSA-N
Species of MetaboliteComponentSourceComments
Nocardia brasiliensis (ncbitaxon:37326) - PubMed (1500368)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
SO-75R1 (CHEBI:201054) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R)-7-[(2R,3R,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-3,9-dimethyl-8,10-dihydro-7H-tetracene-5,12-dione
Manual XrefsDatabases
78436712ChemSpider