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CHEBI:212053 - Chrymutasin C

ChEBI IDCHEBI:212053
ChEBI NameChrymutasin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H43NO17
Net Charge0
Average Mass797.763
Monoisotopic Mass797.25310
SMILESCO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@@H](O[C@H]3[C@H](Oc4cccc5c(O)c6c(=N)c(=O)c7ccc(C)c8c(=O)oc(c45)c6c78)O[C@H](C)[C@H](O)[C@@H]3O)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2112m-1b_1-5_1*O(CCCCCCCCCCCCCC$3/13$4/11$6/8CCCCCO$5/20$7/21)=O(/19)C(/12)O(/10)=N(/9)=O][a2112m-1a_1-5][a2112m-1a_1-5_3*OC]/1-2-3/a2-b1_b2-c1
InChIInChI=1S/C39H43NO17/c1-11-9-10-16-20-18(11)36(49)55-32-19-15(27(44)22(21(20)32)23(40)28(16)45)7-6-8-17(19)54-38-34(29(46)24(41)12(2)52-38)57-39-35(30(47)25(42)13(3)53-39)56-37-31(48)33(50-5)26(43)14(4)51-37/h6-10,12-14,24-26,29-31,33-35,37-44,46-48H,1-5H3/t12-,13-,14-,24+,25+,26+,29+,30+,31-,33+,34-,35-,37-,38+,39-/m1/s1
InChIKeyYKYXBUQMLKPOIE-UFVMVPLKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces chartreusis (ncbitaxon:1969) - PubMed (8040070)
ChEBI Ontology
Outgoing Relation(s)
Chrymutasin C (CHEBI:212053) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-10-imino-15-methyl-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-11,17-dione
Manual XrefsDatabases
78437459ChemSpider