EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208731 - Grincamycin J

ChEBI IDCHEBI:208731
ChEBI NameGrincamycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H42O12
Net Charge0
Average Mass678.731
Monoisotopic Mass678.26763
SMILESC[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)CC(c4ccc5c(c4O)C(=O)c4ccc6c(c4C5=O)C(=O)C[C@](C)(O)C6)O[C@@H]3C)O[C@H]2C)CCC1=O
InChIInChI=1S/C37H42O12/c1-16-23(38)9-11-28(46-16)48-26-10-12-29(47-17(26)2)49-36-18(3)45-27(13-24(36)39)20-7-8-22-32(33(20)41)35(43)21-6-5-19-14-37(4,44)15-25(40)30(19)31(21)34(22)42/h5-8,16-18,24,26-29,36,39,41,44H,9-15H2,1-4H3/t16-,17-,18+,24+,26-,27?,28-,29-,36+,37+/m0/s1
InChIKeyBISHCHREGQIJEZ-ZJCALZMDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28950383)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Grincamycin J (CHEBI:208731) is a angucycline (CHEBI:48130)
IUPAC Name 
(3R)-3,8-dihydroxy-9-[(4R,5S,6R)-4-hydroxy-6-methyl-5-[(2S,5S,6S)-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
71048672ChemSpider