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CHEBI:214367 - Soraphen A1alpha

ChEBI IDCHEBI:214367
ChEBI NameSoraphen A1alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O8
Net Charge0
Average Mass520.663
Monoisotopic Mass520.30362
SMILESCO[C@@H]1[C@@H](O)[C@H](C)[C@H]2OC1(O)[C@H](C)C(=O)O[C@H](c1ccccc1)CCCC[C@@H](OC)[C@H](OC)C=C[C@@H]2C
InChIInChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/t18-,19-,20+,22-,23+,24+,25-,26-,27+,29?/m0/s1
InChIKeyWPMGNXPRKGXGBO-QFLLDXAESA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (8119858)
ChEBI Ontology
Outgoing Relation(s)
Soraphen A1alpha (CHEBI:214367) is a macrolide (CHEBI:25106)
IUPAC Name 
(2S,5S,10R,11R,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one