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CHEBI:221070 - Bispolide B2b

ChEBI IDCHEBI:221070
ChEBI NameBispolide B2b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H102O19
Net Charge0
Average Mass1163.490
Monoisotopic Mass1162.70153
SMILESCCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(OC3OC(C)C(O)C(O)C3O)C(CC)C(C)O2)OC(=O)C=CC(CC)=CC=CC(CC)C(C(C)C(O)CC2(O)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=C1
InChIInChI=1S/C63H102O19/c1-14-41-22-20-24-43(16-3)59(35(7)48(65)31-62(73)33-50(45(18-5)37(9)81-62)77-54-30-47(64)55(69)39(11)75-54)79-52(67)28-26-42(15-2)23-21-25-44(17-4)60(80-53(68)29-27-41)36(8)49(66)32-63(74-13)34-51(46(19-6)38(10)82-63)78-61-58(72)57(71)56(70)40(12)76-61/h20-29,35-40,43-51,54-61,64-66,69-73H,14-19,30-34H2,1-13H3
InChIKeyJZUWMNDFGYWJGS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (17446696)
ChEBI Ontology
Outgoing Relation(s)
Bispolide B2b (CHEBI:221070) is a macrolide (CHEBI:25106)
IUPAC Name 
10-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-hydroxy-6-methyloxan-2-yl]-3-hydroxybutan-2-yl]-5,9,15,19-tetraethyl-20-[4-[5-ethyl-2-methoxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-3-hydroxybutan-2-yl]-1,11-dioxacycloicosa-3,5,7,13,15,17-hexaene-2,12-dione