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CHEBI:215935 - Sorangicin B

ChEBI IDCHEBI:215935
ChEBI NameSorangicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H66O10
Net Charge0
Average Mass791.035
Monoisotopic Mass790.46560
SMILESC/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@@H](C[C@@H](O)/C=C/CC/C=C/C2)C[C@H](O)[C@H]1C)[C@@H]3C
InChIInChI=1S/C47H66O10/c1-31(17-14-15-23-45(50)51)27-32(2)47-42-26-25-36(54-47)19-11-7-5-6-10-18-35(48)28-37-29-38(49)33(3)39(53-37)21-16-22-40-34(4)43-30-44(55-40)41(56-43)20-12-8-9-13-24-46(52)57-42/h7-13,16,18,20,22,24-27,31,33-44,47-49H,5-6,14-15,17,19,21,23,28-30H2,1-4H3,(H,50,51)/b9-8-,11-7+,18-10+,20-12+,22-16+,24-13-,32-27+/t31-,33-,34+,35+,36+,37+,38+,39-,40+,41-,42+,43-,44-,47+/m1/s1
InChIKeyRFMDZQXDVDIKRD-XRXHSMQLSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - PubMed (3104268)
ChEBI Ontology
Outgoing Relation(s)
Sorangicin B (CHEBI:215935) is a macrolide (CHEBI:25106)
IUPAC Name 
(E,6R)-8-[(1S,4Z,6Z,8E,10R,12R,14R,16S,17E,20R,21R,22S,24S,26R,27E,31E,34S,36S,40R)-22,26-dihydroxy-21,40-dimethyl-3-oxo-2,11,15,35,39-pentaoxapentacyclo[32.2.2.112,16.120,24.010,14]tetraconta-4,6,8,17,27,31,37-heptaen-36-yl]-6-methylnon-7-enoic acid