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CHEBI:217750 - Bispolide B1

ChEBI IDCHEBI:217750
ChEBI NameBispolide B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H100O19
Net Charge0
Average Mass1149.463
Monoisotopic Mass1148.68588
SMILESCCC1=CC=CC(CC)C(C(C)C(O)CC2(O)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/C62H100O19/c1-13-40-21-19-23-42(15-3)58(34(7)47(64)30-61(72)32-49(44(17-5)36(9)80-61)76-53-29-46(63)54(68)38(11)74-53)78-51(66)27-25-41(14-2)22-20-24-43(16-4)59(79-52(67)28-26-40)35(8)48(65)31-62(73)33-50(45(18-6)37(10)81-62)77-60-57(71)56(70)55(69)39(12)75-60/h19-28,34-39,42-50,53-60,63-65,68-73H,13-18,29-33H2,1-12H3
InChIKeyINCQULDVXZKQRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (17446696)
ChEBI Ontology
Outgoing Relation(s)
Bispolide B1 (CHEBI:217750) 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-hydroxy-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