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CHEBI:216329 - Sporalactam B

ChEBI IDCHEBI:216329
ChEBI NameSporalactam B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H43NO14
Net Charge0
Average Mass725.744
Monoisotopic Mass725.26836
SMILESCO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C2=C(NC(=O)[C@](C)(CC(=O)[C@@H]3C[C@@H]3[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)O2)C4=O
InChIInChI=1S/C37H43NO14/c1-13-21(48-8)9-10-49-37(7)34(46)24-22-23(28(43)16(4)32(24)52-37)29(44)25-33(30(22)45)51-36(6,35(47)38-25)12-20(40)18-11-19(18)27(42)14(2)26(41)15(3)31(13)50-17(5)39/h9-10,13-15,18-19,21,26-27,31,41-43H,11-12H2,1-8H3,(H,38,47)/t13-,14+,15-,18-,19+,21+,26-,27-,31-,36+,37+/m1/s1
InChIKeyJZQRRNJKVINLDK-BUETVUDJSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (28164711)
ChEBI Ontology
Outgoing Relation(s)
Sporalactam B (CHEBI:216329) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(10S,14S,15R,16S,17R,18R,19R,20S,21S,23R,26S)-5,18,20-trihydroxy-14-methoxy-6,10,15,17,19,26-hexamethyl-2,9,24,27,31-pentaoxo-11,30,32-trioxa-28-azahexacyclo[24.3.1.14,29.17,10.03,8.021,23]dotriaconta-1(29),3,5,7,12-pentaen-16-yl] acetate