CHEBI:215436 - Drechmerin E

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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 Drechmerin E
ChEBI ID CHEBI:215436
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H43NO7
Net Charge 0
Average Mass 553.696
Monoisotopic Mass 553.30395
InChI InChI=1S/C32H43NO7/c1-27(2,35)23(34)26-38-21-24(28(3,4)40-26)37-20-12-13-29(5)30(6)16(11-14-31(29,36)32(20)25(21)39-32)15-18-17-9-7-8-10-19(17)33-22(18)30/h7-10,16,20-21,23-26,33-36H,11-15H2,1-6H3/t16-,20-,21+,23-,24-,25+,26-,29+,30+,31-,32-/m0/s1
InChIKey NPOBYPOTVIAKCY-CJBOXUOYSA-N
SMILES O1C([C@H]2O[C@@H]3[C@@]4([C@@]5(O)[C@]([C@]6(C=7NC=8C=CC=CC8C7C[C@@H]6CC5)C)(C)CC3)[C@@H]([C@@H]2O[C@@H]1[C@H](O)C(O)(C)C)O4)(C)C
Metabolite of Species Details
Drechmeriaspecies (NCBI:txid2545852) See: PubMed
ChEBI Ontology
Outgoing Drechmerin E (CHEBI:215436) is a organic heterotricyclic compound (CHEBI:26979)
Drechmerin E (CHEBI:215436) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1R)-1-[(1R,2S,13S,16S,17S,19R,20R,22S,25S,27S)-16-hydroxy-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-22-yl]-2-methylpropane-1,2-diol
Manual Xref Database
78442387 ChemSpider
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