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CHEBI:210563 - Bispolide B3

Default Structure
ChEBI IDCHEBI:210563
ChEBI NameBispolide B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC64H104O19
Net Charge0
Average Mass1177.517
Monoisotopic Mass1176.71718
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(OC)CC(OC3CC(O)C(O)C(C)O3)C(CC)C(C)O2)OC(=O)C=C1
InChIInChI=1S/C64H104O19/c1-15-42-23-21-25-44(17-3)60(36(7)49(66)32-63(74-13)34-51(46(19-5)38(9)82-63)78-55-31-48(65)56(70)40(11)76-55)80-53(68)29-27-43(16-2)24-22-26-45(18-4)61(81-54(69)30-28-42)37(8)50(67)33-64(75-14)35-52(47(20-6)39(10)83-64)79-62-59(73)58(72)57(71)41(12)77-62/h21-30,36-41,44-52,55-62,65-67,70-73H,15-20,31-35H2,1-14H3
InChIKeyFNUWGZCRYWZINI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Microbispora (ncbitaxon:2005) - PubMed (17446696)
ChEBI Ontology
Outgoing Relation(s)
Bispolide B3 (CHEBI:210563) is a macrolide (CHEBI:25106)
IUPAC Name 
10-[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-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