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CHEBI:224611 - Cochlioquinone N

ChEBI IDCHEBI:224611
ChEBI NameCochlioquinone N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H45NO8
Net Charge0
Average Mass547.689
Monoisotopic Mass547.31452
SMILESCC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)C1=C(N)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O
InChIInChI=1S/C30H45NO8/c1-9-14(2)25(37-16(4)32)15(3)19-21(31)22(33)20-24(35)27-29(7)12-10-17(28(5,6)36)38-18(29)11-13-30(27,8)39-26(20)23(19)34/h14-15,17-18,24-25,27,35-36H,9-13,31H2,1-8H3/t14-,15-,17+,18+,24+,25+,27+,29-,30+/m0/s1
InChIKeyDIJXBWMDIIEPJX-QOAJJVBYSA-N
Species of MetaboliteComponentSourceComments
Bipolarisspecies L1-2 (ncbitaxon:2970998) - PubMed (31397570)
ChEBI Ontology
Outgoing Relation(s)
Cochlioquinone N (CHEBI:224611) is a oxanes (CHEBI:46942)
IUPAC Name 
[(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-10-amino-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate