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CHEBI:227111 - Marinisporolide B

ChEBI IDCHEBI:227111
ChEBI NameMarinisporolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H60O11
Net Charge0
Average Mass692.887
Monoisotopic Mass692.41356
SMILESC/C1=C/C=C\C=C/C=C\C=C/C[C@@H]2C[C@H](O)C[C@](O)(C[C@H](O)C[C@@H](O)/C=C\C[C@@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)[C@H](C)[C@H](C(C)C)OC1=O)O2
InChIInChI=1S/C38H60O11/c1-25(2)36-27(4)35(45)22-31(42)20-30(41)18-28(39)15-13-16-29(40)19-32(43)23-38(47)24-33(44)21-34(49-38)17-12-10-8-6-5-7-9-11-14-26(3)37(46)48-36/h5-14,16,25,27-36,39-45,47H,15,17-24H2,1-4H3/b7-5-,8-6-,11-9-,12-10-,16-13-,26-14-/t27-,28+,29-,30+,31-,32+,33-,34+,35-,36-,38-/m0/s1
InChIKeyGNBZLAGSSMIGCG-IMMDJVMKSA-N
Species of MetaboliteComponentSourceComments
Marinisporaspecies CNQ-140 (ncbitaxon:562918) - PubMed (19132943)
ChEBI Ontology
Outgoing Relation(s)
Marinisporolide B (CHEBI:227111) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,3E,5E,7E,9E,11E,15S,16S,17S,19S,21R,23R,25E,27R,29R,31S,33S)-17,19,21,23,27,29,31,33-octahydroxy-12,16-dimethyl-15-propan-2-yl-14,35-dioxabicyclo[29.3.1]pentatriaconta-3,5,7,9,11,25-hexaen-13-one
Manual XrefsDatabases
27023926ChemSpider