CHEBI:214367 - Soraphen A1alpha

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Soraphen A1alpha
ChEBI ID CHEBI:214367
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H44O8
Net Charge 0
Average Mass 520.663
Monoisotopic Mass 520.30362
InChI InChI=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
InChIKey WPMGNXPRKGXGBO-QFLLDXAESA-N
SMILES O=C1O[C@H](C2=CC=CC=C2)CCCC[C@@H](OC)[C@H](OC)C=C[C@@H]([C@@H]3OC([C@@H]1C)(O)[C@H](OC)[C@@H](O)[C@@H]3C)C
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: PubMed
ChEBI Ontology
Outgoing 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