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CHEBI:210906 - Mangrolide D

ChEBI IDCHEBI:210906
ChEBI NameMangrolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53NO6
Net Charge0
Average Mass559.788
Monoisotopic Mass559.38729
SMILESCC[C@H]1C=C(C)[C@@H](O)CC=CC=C(C)C(=O)O[C@H](C(C)C)CC=C(C)C=C(C)[C@@H]1O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C33H53NO6/c1-10-26-18-23(6)27(35)14-12-11-13-22(5)32(37)39-28(20(2)3)16-15-21(4)17-24(7)30(26)40-29-19-33(9,34)31(36)25(8)38-29/h11-13,15,17-18,20,25-31,35-36H,10,14,16,19,34H2,1-9H3/t25-,26-,27-,28-,29-,30-,31-,33-/m0/s1
InChIKeyJFKCGYLVIVJKAH-WKPWAUNTSA-N
Species of MetaboliteComponentSourceComments
Actinoalloteichus (ncbitaxon:65496) - PubMed (30957503)
ChEBI Ontology
Outgoing Relation(s)
Mangrolide D (CHEBI:210906) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
(8S,11S,12R,18S)-12-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-11-ethyl-8-hydroxy-3,9,13,15-tetramethyl-18-propan-2-yl-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one