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CHEBI:205724 - Saccharosacrin C

ChEBI IDCHEBI:205724
ChEBI NameSaccharosacrin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H91NO17
Net Charge0
Average Mass1110.389
Monoisotopic Mass1109.62870
SMILESCCC1C=CC2/C=C(\C)C(OC3CC(C)(O)C(NC(C)=O)C(C)O3)C(C)/C=C(\C)C3C=CC4C(OC5CCC(OC6CC(O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O5)C(C)CC(C)C4C3(C)C(O)=C3C(=O)OC2(C1)C3=O
InChIInChI=1S/C61H91NO17/c1-14-38-15-16-39-23-32(6)52(78-48-27-59(12,70)55(36(10)74-48)62-37(11)63)30(4)21-28(2)41-18-17-40-50(60(41,13)56(67)49-57(68)61(39,26-38)79-58(49)69)29(3)22-31(5)53(40)76-45-20-19-44(33(7)71-45)75-46-25-43(65)54(35(9)73-46)77-47-24-42(64)51(66)34(8)72-47/h15-18,21,23,29-31,33-36,38-48,50-55,64-67,70H,14,19-20,22,24-27H2,1-13H3,(H,62,63)/b28-21+,32-23+,56-49?
InChIKeySBSXVLNDKQIMRK-GDELKNSESA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (9099220)
ChEBI Ontology
Outgoing Relation(s)
Saccharosacrin C (CHEBI:205724) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-ethyl-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl]acetamide