CHEBI:202413 - Bispolide A1

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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 A1
ChEBI ID CHEBI:202413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C62H100O18
Net Charge 0
Average Mass 1133.464
Monoisotopic Mass 1132.69097
InChI InChI=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
InChIKey IBGIBLZLQOOATI-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)O)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5)O)C)C)O)C
Metabolite of Species Details
Microbispora (NCBI:txid2005) See: PubMed
ChEBI Ontology
Outgoing 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