CHEBI:210563 - Bispolide B3

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Bispolide B3
ChEBI ID CHEBI:210563
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C64H104O19
Net Charge 0
Average Mass 1177.517
Monoisotopic Mass 1176.71718
InChI InChI=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
InChIKey FNUWGZCRYWZINI-UHFFFAOYSA-N
SMILES O=C1OC(C(C=CC=C(C=CC(=O)OC(C(C=CC=C(C=C1)CC)CC)C(C(O)CC2(OC(C(CC)C(C2)OC3OC(C(O)C(C3)O)C)C)OC)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5O)O)C)C)OC)C
Metabolite of Species Details
Microbispora (NCBI:txid2005) See: PubMed
ChEBI Ontology
Outgoing 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