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CHEBI:221737 - Versipelostatin F

Default Structure
ChEBI IDCHEBI:221737
ChEBI NameVersipelostatin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H94O18
Net Charge0
Average Mass1115.405
Monoisotopic Mass1114.64402
SMILESCC/C1=C\[C@H](CO)C[C@@H](C)[C@H](OC2CC(O)C(OC3OC(C)C(OC4CC(O)C(O)C(C)O4)C(OC)C3O)C(C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C(O)[C@@]2(CC)[C@H]4[C@H](C=C(C)[C@@H]12)[C@@H](O)CC(=O)[C@@H]4C)C3=O
InChIInChI=1S/C61H94O18/c1-14-38-21-37(27-62)19-30(5)51(76-45-24-43(66)52(35(10)74-45)78-58-50(68)54(72-13)53(36(11)75-58)77-44-23-42(65)49(67)34(9)73-44)28(3)17-16-18-59(12)25-31(6)32(7)26-61(59)56(70)46(57(71)79-61)55(69)60(15-2)47(38)29(4)20-39-41(64)22-40(63)33(8)48(39)60/h20-21,25,28,30,32-37,39,41-45,47-54,58,62,64-69H,14-19,22-24,26-27H2,1-13H3/b38-21+,55-46?/t28-,30-,32-,33+,34?,35?,36?,37-,39-,41+,42?,43?,44?,45?,47+,48-,49?,50?,51-,52?,53?,54?,58?,59-,60-,61-/m1/s1
InChIKeySLQNFPCCYFFOTE-IKIXCBQUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (19194034)
ChEBI Ontology
Outgoing Relation(s)
Versipelostatin F (CHEBI:221737) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(1S,3R,6R,10R,11R,12R,14R,15E,17S,20S,21S,24R,25S,26S)-11-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-3-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-16,26-diethyl-21,27-dihydroxy-14-(hydroxymethyl)-3,4,6,10,12,18,24-heptamethyl-30-oxapentacyclo[26.2.1.01,6.017,26.020,25]hentriaconta-4,15,18,27-tetraene-23,29,31-trione