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CHEBI:218295 - Versipelostatin

Default Structure
ChEBI IDCHEBI:218295
ChEBI NameVersipelostatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H94O17
Net Charge0
Average Mass1099.406
Monoisotopic Mass1098.64910
SMILESCC/C1=C\C(CO)CC(C)[C@@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)O2)C(C)CCCC2(C)C=C(C)C(C)CC23OC(=O)C(=C(O)C2(CC)C1C(C)=CC1C(O)CC(=O)C(C)C12)C3=O
InChIInChI=1S/C61H94O17/c1-14-39-21-38(28-62)19-31(5)53(75-47-24-44(66)54(36(10)73-47)76-48-25-45(71-13)55(37(11)74-48)77-46-23-43(65)52(67)35(9)72-46)29(3)17-16-18-59(12)26-32(6)33(7)27-61(59)57(69)49(58(70)78-61)56(68)60(15-2)50(39)30(4)20-40-42(64)22-41(63)34(8)51(40)60/h20-21,26,29,31,33-38,40,42-48,50-55,62,64-68H,14-19,22-25,27-28H2,1-13H3/b39-21+,56-49?/t29?,31?,33?,34?,35-,36-,37-,38?,40?,42?,43+,44+,45-,46+,47+,48-,50?,51?,52-,53+,54-,55-,59?,60?,61?/m1/s1
InChIKeyYEEXYAGTIVUKNM-KZRFVEBPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces versipellis (ncbitaxon:67375) - DOI (10.1016/s0040-4039(03)01389-3)
ChEBI Ontology
Outgoing Relation(s)
Versipelostatin (CHEBI:218295) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(11S,15E)-11-[(2R,4S,5S,6R)-5-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-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