CHEBI:202760 - Micromonospolide B

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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 Micromonospolide B
ChEBI ID CHEBI:202760
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H58O9
Net Charge 0
Average Mass 646.862
Monoisotopic Mass 646.40808
InChI InChI=1S/C37H58O9/c1-11-12-13-16-30-26(6)29(38)21-37(42,46-30)28(8)34(40)27(7)35-31(43-9)17-14-15-22(2)18-24(4)33(39)25(5)19-23(3)20-32(44-10)36(41)45-35/h11-17,19-20,24-31,33-35,38-40,42H,18,21H2,1-10H3/b12-11+,16-13+,17-14-,22-15-,23-19-,32-20+/t24-,25+,26-,27-,28-,29+,30+,31-,33-,34+,35+,37+/m0/s1
InChIKey ILQQSAMELBORTI-AMZCWPHDSA-N
SMILES O=C1O[C@@H]([C@@H](OC)C=CC=C(C[C@@H]([C@@H]([C@@H](C=C(C=C1OC)C)C)O)C)C)[C@H]([C@@H](O)[C@@H]([C@@]2(O[C@H](/C=C/C=C/C)[C@@H](C)[C@@H](C2)O)O)C)C
Metabolite of Species Details
Micromonosporaspecies (NCBI:txid1876) See: DOI
ChEBI Ontology
Outgoing Micromonospolide B (CHEBI:202760) is a macrolide (CHEBI:25106)
IUPAC Name
(3E,5Z,7R,8S,9S,11Z,13Z,15S,16R)-16-[(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-5-methyl-6-[(1E,3E)-penta-1,3-dienyl]oxan-2-yl]-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
Manual Xref Database
78436912 ChemSpider
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