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CHEBI:220292 - Bispolide A2

ChEBI IDCHEBI:220292
ChEBI NameBispolide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H102O18
Net Charge0
Average Mass1147.491
Monoisotopic Mass1146.70662
SMILESCCC1=CC=CC(CC)C(C(C)C(O)CC2(OC)CC(OC3CC(O)C(O)C(C)O3)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/C63H102O18/c1-14-42-22-20-24-44(16-3)60(36(7)50(66)32-62(72)34-52(46(18-5)38(9)80-62)76-56-30-48(64)58(70)40(11)74-56)78-54(68)28-26-43(15-2)23-21-25-45(17-4)61(79-55(69)29-27-42)37(8)51(67)33-63(73-13)35-53(47(19-6)39(10)81-63)77-57-31-49(65)59(71)41(12)75-57/h20-29,36-41,44-53,56-61,64-67,70-72H,14-19,30-35H2,1-13H3
InChIKeyOFYLDDSYNNQGMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (17446696)
ChEBI Ontology
Outgoing Relation(s)
Bispolide A2 (CHEBI:220292) 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]-20-[4-[4-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-5-ethyl-2-methoxy-6-methyloxan-2-yl]-3-hydroxybutan-2-yl]-5,9,15,19-tetraethyl-1,11-dioxacycloicosa-3,5,7,13,15,17-hexaene-2,12-dione