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CHEBI:217893 - 12-deoxyroridin J

ChEBI IDCHEBI:217893
ChEBI Name12-deoxyroridin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O8
Net Charge0
Average Mass512.599
Monoisotopic Mass512.24102
SMILESC=C1[C@H]2C[C@H]3OC(=O)/C=C\C=C\[C@@H]4O[C@@H](O[C@H]4C)[C@H](O)/C(C)=C/C(=O)OC[C@@]4(CCC(C)=C[C@H]4O2)[C@]13C
InChIInChI=1S/C29H36O8/c1-16-10-11-29-15-33-25(31)13-17(2)26(32)27-34-19(4)20(36-27)8-6-7-9-24(30)37-22-14-21(35-23(29)12-16)18(3)28(22,29)5/h6-9,12-13,19-23,26-27,32H,3,10-11,14-15H2,1-2,4-5H3/b8-6+,9-7-,17-13+/t19-,20-,21+,22+,23+,26+,27+,28+,29+/m0/s1
InChIKeyFSBDKDZPVYYVHZ-DIDGDQROSA-N
Species of MetaboliteComponentSourceComments
Calcarisporium (ncbitaxon:150368) - DOI (10.1016/j.tetlet.2018.03.089)
ChEBI Ontology
Outgoing Relation(s)
12-deoxyroridin J (CHEBI:217893) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3R,8R,12E,14R,15R,17S,18S,19E,21Z,25R,26S)-14-hydroxy-5,13,17,26-tetramethyl-27-methylidene-2,10,16,24,29-pentaoxapentacyclo[23.2.1.115,18.03,8.08,26]nonacosa-4,12,19,21-tetraene-11,23-dione
Manual XrefsDatabases
128435682ChemSpider