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CHEBI:217331 - Catenulisporolide D

ChEBI IDCHEBI:217331
ChEBI NameCatenulisporolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H98O19
Net Charge0
Average Mass1099.403
Monoisotopic Mass1098.67023
SMILESCO[C@@H]1C[C@H](O[C@H]2C[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)CCCCCC(=O)O[C@H](C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](CC(C)C)O[C@H]3C[C@@H](O[C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O3)[C@@H](C)/C=C/C=C/C=C/[C@@H](O)C2)O[C@H](C)[C@H]1O
InChIInChI=1S/C58H98O19/c1-32(2)24-48(76-54-31-50(58(69)39(9)73-54)77-52-29-46(64)56(67)37(7)71-52)36(6)55(66)35(5)45(63)28-47-34(4)18-14-11-12-15-19-40(59)25-43(74-53-30-49(70-10)57(68)38(8)72-53)26-42(61)23-22-33(3)44(62)27-41(60)20-16-13-17-21-51(65)75-47/h11-12,14-15,18-19,22,32,34-43,45-50,52-61,63-64,66-69H,13,16-17,20-21,23-31H2,1-10H3/b12-11+,18-14+,19-15+,33-22+/t34-,35-,36-,37+,38+,39+,40+,41+,42-,43+,45+,46+,47+,48-,49+,50+,52-,53-,54-,55+,56+,57+,58+/m0/s1
InChIKeyYHKHXAQVOCOLJP-CUPPDMCKSA-N
Species of MetaboliteComponentSourceComments
Catenulisporaspecies (ncbitaxon:1962977) - PubMed (30379079)
ChEBI Ontology
Outgoing Relation(s)
Catenulisporolide D (CHEBI:217331) is a macrolide (CHEBI:25106)
IUPAC Name 
(8R,11E,14S,16S,18S,19E,21E,23E,25S,26R)-26-[(2R,3S,4R,5R,6S)-6-[(2R,4R,5R,6R)-4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-3,5,8-trimethylnonyl]-8,14,18-trihydroxy-16-[(2R,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-11,25-dimethyl-1-oxacyclohexacosa-11,19,21,23-tetraene-2,10-dione
Manual XrefsDatabases
78439900ChemSpider