EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222563 - Steffimycin E

ChEBI IDCHEBI:222563
ChEBI NameSteffimycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O12
Net Charge0
Average Mass546.525
Monoisotopic Mass546.17373
SMILESCOc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1OC)CC(C)(O)C3O
InChIInChI=1S/C27H30O12/c1-9-19(29)23(33)24(37-4)26(38-9)39-15-8-27(2,35)25(34)13-7-12-18(22(32)17(13)15)21(31)16-11(20(12)30)5-10(36-3)6-14(16)28/h5-7,9,15,19,23-26,28-29,32-35H,8H2,1-4H3/t9-,15?,19-,23+,24+,25?,26-,27?/m0/s1
InChIKeyFFZDPXIWAMFENN-MGHFSUBISA-N
Species of MetaboliteComponentSourceComments
Streptomyces steffisburgensis (ncbitaxon:68271) - PubMed (9268006)
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)
Steffimycin E (CHEBI:222563) is a anthracycline (CHEBI:48120)
IUPAC Name 
7-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-4,6,9,10-tetrahydroxy-2-methoxy-9-methyl-8,10-dihydro-7H-tetracene-5,12-dione