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CHEBI:201111 - Chrymutasin A

ChEBI IDCHEBI:201111
ChEBI NameChrymutasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33NO13
Net Charge0
Average Mass651.621
Monoisotopic Mass651.19519
SMILESCO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@H]2[C@H](Oc3cccc4c(O)c5c(=N)c(=O)c6ccc(C)c7c(=O)oc(c34)c5c67)O[C@H](C)[C@H](O)[C@@H]2O)[C@@H]1O
InChIInChI=1S/C33H33NO13/c1-10-8-9-14-18-16(10)31(41)46-28-17-13(24(37)20(19(18)28)21(34)25(14)38)6-5-7-15(17)45-33-30(26(39)22(35)11(2)44-33)47-32-27(40)29(42-4)23(36)12(3)43-32/h5-9,11-12,22-23,26-27,29-30,32-37,39-40H,1-4H3/t11-,12-,22+,23+,26+,27-,29+,30-,32-,33+/m1/s1
InChIKeyPGPBQOOTKKWKJL-UPVXFFSBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8040070)
ChEBI Ontology
Outgoing Relation(s)
Chrymutasin A (CHEBI:201111) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,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-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
78436722ChemSpider