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CHEBI:201518 - delta2-Doramectin

ChEBI IDCHEBI:201518
ChEBI Namedelta2-Doramectin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC50H74O14
Net Charge0
Average Mass899.128
Monoisotopic Mass898.50786
SMILESCOC1CC(OC2C(C)OC(OC3C(C)=CCC4CC(CC5(C=CC(C)C(C6CCCCC6)O5)O4)OC(=O)C4=CC(C)C(O)C5OCC(=CC=CC3C)C45O)CC2OC)OC(C)C1O
InChIInChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29-33,35-36,38-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3
InChIKeyVZOJDURAMSCPBY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
delta2-Doramectin (CHEBI:201518) is a macrolide (CHEBI:25106)
IUPAC Name 
(2R,3S,4'S,6S,8'R,10'E,12'S,13'S,16'E,20'R,21'R,22'S,24'R)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(23),10,14,16-tetraene]-2'-one