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CHEBI:217991 - 23672 RP

ChEBI IDCHEBI:217991
ChEBI Name23672 RP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O20
Net Charge0
Average Mass979.164
Monoisotopic Mass978.53995
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H](C)[C@H]2OC(=O)[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)C(C)[C@@H](O[C@@H]3O[C@H](C)CC(=O)[C@H]3O)[C@@H](C)C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(=O)[C@H](O)C(C)C)[C@H]2C)[C@@H]1OC
InChIInChI=1S/C48H82O20/c1-20(2)32(50)44(56)67-37-25(7)36(22(4)19-61-46-40(60-15)39(59-14)33(51)28(10)64-46)66-43(55)27(9)38(65-31-18-48(13,58)42(54)29(11)63-31)24(6)35(21(3)17-47(12,57)41(53)26(37)8)68-45-34(52)30(49)16-23(5)62-45/h20-29,31-40,42,45-46,50-52,54,57-58H,16-19H2,1-15H3/t21-,22-,23+,24?,25-,26+,27+,28+,29-,31-,32+,33+,34+,35-,36+,37-,38-,39+,40+,42-,45-,46+,47-,48+/m0/s1
InChIKeyZIYHVXDEFIKGMH-XAYYHAEXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces chryseus (ncbitaxon:68186) - DOI (10.1021/ja00530a048)
ChEBI Ontology
Outgoing Relation(s)
23672 RP (CHEBI:217991) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,3S,4S,5R,7S,9S,10S,12S,13R)-12-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-7-hydroxy-2-[(2S)-1-[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-10-[(2S,3S,6R)-3-hydroxy-6-methyl-4-oxooxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] (2R)-2-hydroxy-3-methylbutanoate
Manual XrefsDatabases
78438675ChemSpider