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CHEBI:201798 - Aldecalmycin

ChEBI IDCHEBI:201798
ChEBI NameAldecalmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O9
Net Charge0
Average Mass594.786
Monoisotopic Mass594.37678
SMILESCC/C=C(\C)[C@@H](O)[C@@H](C)[C@H](C[C@H]1C(C)=C[C@H]2C[C@@H](C)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CC=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C33H54O9/c1-8-9-18(3)28(37)21(6)24(41-32-31(40)30(39)29(38)25(16-35)42-32)15-23-19(4)14-22-13-17(2)12-20(5)27(22)33(23,7)26(36)10-11-34/h9,11,14,17,20-25,27-32,35,37-40H,8,10,12-13,15-16H2,1-7H3/b18-9+/t17-,20+,21-,22+,23-,24-,25+,27-,28+,29+,30-,31+,32+,33+/m0/s1
InChIKeyBKXWBAOGONGQJL-LFYCWKIZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8002389)
ChEBI Ontology
Outgoing Relation(s)
Aldecalmycin (CHEBI:201798) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
3-[(1R,2S,4aR,6S,8R,8aS)-2-[(E,2S,3R,4S)-4-hydroxy-3,5-dimethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoct-5-enyl]-1,3,6,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-oxopropanal
Manual XrefsDatabases
4948158ChemSpider