CHEBI:227237 - Fijiolide B

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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 Fijiolide B
ChEBI ID CHEBI:227237
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H36Cl2N2O9
Net Charge 0
Average Mass 663.550
Monoisotopic Mass 662.17979
InChI InChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3/t19-,21-,25-,26+,28-,29+,30-,32+/m0/s1
InChIKey SGICAIWTPRUYBA-XHXKVFPOSA-N
SMILES ClC1=C2C=CC3=C1C4=CC=C[C@]4(O[C@@H]5OC([C@@H](N(C)C)[C@H]([C@H]5O)O)(C)C)[C@@H]3OC6=C(Cl)C=C([C@H](CC(OC[C@@H]2O)=O)N)C=C6O
Metabolite of Species Details
Nocardiopsisspecies CNS-653 (NCBI:txid665787) See: PubMed
ChEBI Ontology
Outgoing Fijiolide B (CHEBI:227237) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(3R,4R,14R,19S)-19-amino-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-17-one
Manual Xref Database
25028537 ChemSpider
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