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CHEBI:202970 - TAN-1323D

ChEBI IDCHEBI:202970
ChEBI NameTAN-1323D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H66O13
Net Charge0
Average Mass790.988
Monoisotopic Mass790.45034
SMILESC/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)O)[C@@H]1C
InChIInChI=1S/C43H66O13/c1-12-15-32-28(7)35(54-37(46)19-18-36(44)45)23-43(51,56-32)30(9)40(49)29(8)41-33(52-10)17-14-16-24(3)20-26(5)38(47)31(13-2)39(48)27(6)21-25(4)22-34(53-11)42(50)55-41/h12,14-19,21-22,26-33,35,38-41,47-49,51H,13,20,23H2,1-11H3,(H,44,45)/b15-12+,17-14+,19-18+,24-16+,25-21+,34-22-/t26-,27-,28-,29+,30+,31+,32-,33+,35-,38+,39-,40-,41-,43-/m1/s1
InChIKeyFNXHQRMBGOYZCC-RRCTZNHSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces purpurascens (ncbitaxon:1924) - PubMed (7532643)
ChEBI Ontology
Outgoing Relation(s)
TAN-1323D (CHEBI:202970) is a macrolide (CHEBI:25106)
IUPAC Name 
(E)-4-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-oxobut-2-enoic acid