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CHEBI:225262 - Antascomicin C

ChEBI IDCHEBI:225262
ChEBI NameAntascomicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H59NO10
Net Charge0
Average Mass689.887
Monoisotopic Mass689.41390
SMILESCO[C@@H]1[C@@H](O)[C@H](C[C@@H](C)[C@@H]2CC[C@H](C)/C=C\CC/C=C/C(=O)[C@H](C)[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
InChIInChI=1S/C38H59NO10/c1-23-12-8-6-7-9-14-29(40)26(4)32-20-16-25(3)38(46,49-32)35(43)36(44)39-21-11-10-13-28(39)37(45)48-31(19-15-23)24(2)22-27-17-18-30(41)34(47-5)33(27)42/h8-9,12,14,23-28,30-34,41-42,46H,6-7,10-11,13,15-22H2,1-5H3/b12-8-,14-9+/t23-,24-,25-,26+,27+,28+,30-,31+,32+,33+,34+,38-/m1/s1
InChIKeyWQOGIWKBLAOFFT-CYLGHVJJSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8626235)
ChEBI Ontology
Outgoing Relation(s)
Antascomicin C (CHEBI:225262) is a lactam (CHEBI:24995)
Antascomicin C (CHEBI:225262) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-12-[(2R)-1-[(1S,2S,3S,4R)-2,4-dihydroxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-15,23,27-trimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone
Manual XrefsDatabases
78439818ChemSpider