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CHEBI:222812 - Maduralide

ChEBI IDCHEBI:222812
ChEBI NameMaduralide
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SubmitterMetaboLights
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FormulaC42H68O13
Net Charge0
Average Mass780.993
Monoisotopic Mass780.46599
SMILESCCC(O)C(C)C1OC(=O)CC(O)C(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C(C)C(O[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)C(C)CC(C)C(=O)/C=C/CC(O)C1C
InChIInChI=1S/C42H68O13/c1-12-30(43)27(8)40-28(9)33(46)15-13-14-31(44)23(4)19-25(6)39(55-42-38(51)41(52-11)37(50)29(10)53-42)21(2)16-17-32(45)22(3)18-24(5)36(49)26(7)34(47)20-35(48)54-40/h13-14,16-18,21-23,25-30,33-34,37-43,46-47,50-51H,12,15,19-20H2,1-11H3/b14-13+,17-16+,24-18+/t21?,22?,23?,25?,26?,27?,28?,29-,30?,33?,34?,37+,38+,39?,40?,41+,42+/m0/s1
InChIKeyFCXJEHUXTNOFKT-ZNUHQKBYSA-N
ChEBI Ontology
Outgoing Relation(s)
Maduralide (CHEBI:222812) is a macrolide (CHEBI:25106)
IUPAC Name 
(7E,11E,19E)-14-[(2S,3R,4R,5R,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,22-dihydroxy-24-(3-hydroxypentan-2-yl)-5,7,9,13,15,17,23-heptamethyl-1-oxacyclotetracosa-7,11,19-triene-2,6,10,18-tetrone
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10271282ChemSpider