EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:202413 - Bispolide A1

ChEBI IDCHEBI:202413
ChEBI NameBispolide A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H100O18
Net Charge0
Average Mass1133.464
Monoisotopic Mass1132.69097
SMILESCCC1=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=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/C62H100O18/c1-13-41-21-19-23-43(15-3)59(35(7)49(65)31-61(71)33-51(45(17-5)37(9)79-61)75-55-29-47(63)57(69)39(11)73-55)78-54(68)28-26-42(14-2)22-20-24-44(16-4)60(77-53(67)27-25-41)36(8)50(66)32-62(72)34-52(46(18-6)38(10)80-62)76-56-30-48(64)58(70)40(12)74-56/h19-28,35-40,43-52,55-60,63-66,69-72H,13-18,29-34H2,1-12H3
InChIKeyIBGIBLZLQOOATI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (17446696)
ChEBI Ontology
Outgoing Relation(s)
Bispolide A1 (CHEBI:202413) is a macrolide (CHEBI:25106)
IUPAC Name 
10,20-bis[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-1,11-dioxacycloicosa-3,5,7,13,15,17-hexaene-2,12-dione