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CHEBI:222795 - Macrolactin D

ChEBI IDCHEBI:222795
ChEBI NameMacrolactin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O13
Net Charge0
Average Mass650.718
Monoisotopic Mass650.29384
SMILESC[C@@H]1CCC/C=C/C=C/[C@H](O)C[C@@H](O)C/C=C\C=C\[C@@H](O[C@@H]2O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C/C=C/C=C\C(=O)O1
InChIInChI=1S/C33H46O13/c1-22-13-7-3-2-4-8-14-23(34)19-24(35)15-9-5-10-16-25(17-11-6-12-18-28(38)44-22)45-33-32(42)31(41)30(40)26(46-33)21-43-29(39)20-27(36)37/h2,4-6,8-12,14,16,18,22-26,30-35,40-42H,3,7,13,15,17,19-21H2,1H3,(H,36,37)/b4-2+,9-5-,11-6+,14-8+,16-10+,18-12-/t22-,23+,24+,25-,26-,30-,31+,32-,33-/m1/s1
InChIKeyZAOCPQNYGXVBAC-PWQNPLSFSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrolactin D (CHEBI:222795) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(2R,3S,4S,5R,6R)-6-[[(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-14,16-dihydroxy-24-methyl-2-oxo-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-8-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid