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CHEBI:201506 - delta2-Avermectin B1a

ChEBI IDCHEBI:201506
ChEBI Namedelta2-Avermectin B1a
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SubmitterMetaboLights
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FormulaC48H72O14
Net Charge0
Average Mass873.090
Monoisotopic Mass872.49221
SMILESCCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)C=C(C(=O)O1)C34O)O2
InChIInChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28-31,33-34,36-45,49-50,52H,11,16,20-24H2,1-10H3
InChIKeyHUCQMMKOSSBDDS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
delta2-Avermectin B1a (CHEBI:201506) 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,24'R)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5R,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