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CHEBI:220969 - Premetathramycin

ChEBI IDCHEBI:220969
ChEBI NamePremetathramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H64O21
Net Charge0
Average Mass977.019
Monoisotopic Mass976.39401
SMILESCO[C@@H]1C(=O)C(C(C)=O)=C(O)C2(O[C@H]3CC(O[C@H]4C[C@@H](O[C@H]5C[C@](C)(O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)C(=O)c3c(cc4cc(O[C@H]5C[C@](C)(O)[C@H](O)[C@@H](C)O5)c(C)c(O)c4c3O)CC12
InChIInChI=1S/C48H64O21/c1-17-26(66-31-15-46(7,59)42(55)21(5)64-31)12-24-10-23-11-25-41(61-9)40(54)33(18(2)49)44(57)48(25,45(58)35(23)39(53)34(24)36(17)50)69-30-14-28(38(52)20(4)63-30)67-29-13-27(37(51)19(3)62-29)68-32-16-47(8,60)43(56)22(6)65-32/h10,12,19-22,25,27-32,37-38,41-43,50-53,55-57,59-60H,11,13-16H2,1-9H3/t19-,20-,21-,22-,25?,27-,28?,29+,30+,31+,32+,37+,38-,41+,42-,43-,46+,47+,48?/m1/s1
InChIKeyGHIYXVPLQFUOCR-ILKRYEEZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1039/d0cb00228c)
ChEBI Ontology
Outgoing Relation(s)
Premetathramycin (CHEBI:220969) is a diterpenoid (CHEBI:23849)