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CHEBI:197870 - Frigocyclinone

ChEBI IDCHEBI:197870
ChEBI NameFrigocyclinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO6
Net Charge0
Average Mass463.530
Monoisotopic Mass463.19949
SMILESC[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)C(=O)C[C@](C)(O)C4)CC[C@@H]1N(C)C
InChIInChI=1S/C27H29NO6/c1-13-18(28(3)4)9-10-20(34-13)15-7-8-17-23(24(15)30)26(32)16-6-5-14-11-27(2,33)12-19(29)21(14)22(16)25(17)31/h5-8,13,18,20,30,33H,9-12H2,1-4H3/t13-,18-,20+,27+/m0/s1
InChIKeyVHNOLQAJFPFISB-WAEAEODXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883)
- PubMed (16060387)
- PubMed (26230704)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Frigocyclinone (CHEBI:197870) is a angucycline (CHEBI:48130)
IUPAC Names 
(3R)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
(3S)-9-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-3,8-dihydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Manual XrefsDatabases
9651602ChemSpider
40256512ChemSpider