CHEBI:199888 - Bispolide B2a

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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 B2a
ChEBI ID CHEBI:199888
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H102O19
Net Charge 0
Average Mass 1163.490
Monoisotopic Mass 1162.70153
InChI InChI=1S/C63H102O19/c1-14-41-22-20-24-43(16-3)59(35(7)48(65)31-62(73)33-50(45(18-5)37(9)81-62)78-61-58(72)57(71)56(70)40(12)76-61)79-52(67)28-26-42(15-2)23-21-25-44(17-4)60(80-53(68)29-27-41)36(8)49(66)32-63(74-13)34-51(46(19-6)38(10)82-63)77-54-30-47(64)55(69)39(11)75-54/h20-29,35-40,43-51,54-61,64-66,69-73H,14-19,30-34H2,1-13H3
InChIKey LQZSXRNWHMNBRC-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(C3O)O)C)C)O)C)CC)CC)C(C(O)CC4(OC(C(CC)C(C4)OC5OC(C(O)C(C5)O)C)C)OC)C
Metabolite of Species Details
Microbispora (NCBI:txid2005) See: PubMed
ChEBI Ontology
Outgoing Bispolide B2a (CHEBI:199888) 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-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