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CHEBI:215981 - Urdamycin V

ChEBI IDCHEBI:215981
ChEBI NameUrdamycin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H48O14S
Net Charge0
Average Mass760.855
Monoisotopic Mass760.27648
SMILESCSC1=CC2=C(C(=O)c3ccc([C@H]4C[C@@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@H](O)[C@@H](C)O4)c(O)c3C2=O)[C@@]2(O[C@H]3CC[C@@H](O)[C@H](C)O3)C(=O)C[C@](C)(O)C[C@@]12O
InChIInChI=1S/C38H48O14S/c1-16-22(39)8-10-28(49-16)51-25-13-24(48-18(3)32(25)42)19-6-7-20-30(33(19)43)34(44)21-12-27(53-5)37(47)15-36(4,46)14-26(41)38(37,31(21)35(20)45)52-29-11-9-23(40)17(2)50-29/h6-7,12,16-18,22-25,28-29,32,39-40,42-43,46-47H,8-11,13-15H2,1-5H3/t16-,17-,18+,22-,23+,24+,25+,28-,29-,32+,36-,37+,38-/m0/s1
InChIKeyNAUIUEVMXKWAGB-WAWXSFEQSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies OA293 (ncbitaxon:2163179) - PubMed (32058690)
ChEBI Ontology
Outgoing Relation(s)
Urdamycin V (CHEBI:215981) is a anthraquinone (CHEBI:22580)
Urdamycin V (CHEBI:215981) is a glycoside (CHEBI:24400)
IUPAC Name 
(3R,4aS,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-5-methylsulanyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione