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CHEBI:222790 - Macrolactin C

ChEBI IDCHEBI:222790
ChEBI NameMacrolactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O9
Net Charge0
Average Mass562.700
Monoisotopic Mass562.31418
SMILESC[C@@H]1[C@@H](O[C@H]2/C=C/C=C/CCC[C@@H](C)OC(=O)/C=C\C=C\C[C@H](O)/C=C/C=C\C[C@H](O)C2)O[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C31H46O9/c1-22-14-8-4-3-5-12-18-26(39-31-23(2)29(36)30(37)27(21-32)40-31)20-25(34)17-11-6-9-15-24(33)16-10-7-13-19-28(35)38-22/h3,5-7,9-13,15,18-19,22-27,29-34,36-37H,4,8,14,16-17,20-21H2,1-2H3/b5-3+,10-7+,11-6-,15-9+,18-12+,19-13-/t22-,23+,24-,25+,26+,27+,29+,30+,31+/m1/s1
InChIKeySGCHGFYQCAJGCH-PFDWWXSISA-N
ChEBI Ontology
Outgoing Relation(s)
Macrolactin C (CHEBI:222790) is a macrolide (CHEBI:25106)
IUPAC Name 
(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-16-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-8,14-dihydroxy-24-methyl-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one