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CHEBI:202691 - Monacyclinone D

ChEBI IDCHEBI:202691
ChEBI NameMonacyclinone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H29NO7
Net Charge0
Average Mass479.529
Monoisotopic Mass479.19440
SMILESC[C@@H]1O[C@@H](c2ccc3c(c2O)C(=O)c2ccc4c(c2C3=O)OC(=O)C[C@](C)(O)C4)CC[C@@H]1N(C)C
InChIInChI=1S/C27H29NO7/c1-13-18(28(3)4)9-10-19(34-13)15-7-8-16-21(23(15)30)24(31)17-6-5-14-11-27(2,33)12-20(29)35-26(14)22(17)25(16)32/h5-8,13,18-19,30,33H,9-12H2,1-4H3/t13-,18-,19+,27+/m0/s1
InChIKeyLRZDWZOTMHTTRQ-GADWBQAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26230704)
ChEBI Ontology
Outgoing Relation(s)
Monacyclinone D (CHEBI:202691) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(4R)-10-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-4,9-dihydroxy-4-methyl-3,5-dihydronaphtho[3,2-i][1]benzoxepine-2,8,13-trione
Manual XrefsDatabases
40256517ChemSpider