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CHEBI:217325 - Catenulisporolide C

ChEBI IDCHEBI:217325
ChEBI NameCatenulisporolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H98O20
Net Charge0
Average Mass1103.391
Monoisotopic Mass1102.66515
SMILESCC(C)C[C@H](O[C@H]1C[C@@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)C[C@H]1OC(=O)CCCCC[C@@H](O)C[C@]2(O)O[C@H](C[C@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)C[C@H](O)/C=C/C=C/C=C/[C@@H]1C)C[C@H](O)[C@H]2C
InChIInChI=1S/C57H98O20/c1-30(2)21-47(75-52-28-48(56(68)37(9)72-52)76-51-27-45(63)55(67)36(8)71-51)33(5)53(65)32(4)42(60)25-46-31(3)17-13-10-11-14-18-38(58)22-40(73-50-26-44(62)54(66)35(7)70-50)23-41-24-43(61)34(6)57(69,77-41)29-39(59)19-15-12-16-20-49(64)74-46/h10-11,13-14,17-18,30-48,50-56,58-63,65-69H,12,15-16,19-29H2,1-9H3/b11-10+,17-13+,18-14+/t31-,32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45+,46+,47-,48+,50-,51-,52-,53+,54+,55+,56+,57-/m0/s1
InChIKeyJHAMGSNGNSSQAG-QAEPOIJJSA-N
Species of MetaboliteComponentSourceComments
Catenulisporaspecies (ncbitaxon:1962977) - PubMed (30379079)
ChEBI Ontology
Outgoing Relation(s)
Catenulisporolide C (CHEBI:217325) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,3R,11R,12S,13E,15E,17E,19S,21R,23S,25S,26R)-21-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-11-[(2R,3S,4R,5R,6S)-6-[(2R,4R,5R,6R)-4-[(2R,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]-1,3,19,25-tetrahydroxy-12,26-dimethyl-10,27-dioxabicyclo[21.3.1]heptacosa-13,15,17-trien-9-one
Manual XrefsDatabases
78439899ChemSpider