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CHEBI:203312 - Saccharosacrin F

ChEBI IDCHEBI:203312
ChEBI NameSaccharosacrin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H103NO19
Net Charge0
Average Mass1238.560
Monoisotopic Mass1237.71243
SMILESCCCC1C=CC2/C=C(\C)C(OC3CC(C)(O)C(NC(C)=O)C(C)O3)C(C)/C=C(\C)C3C=CC4C(OC5CCC(OC6CC(OC7CCC(O)C(C)O7)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/C68H103NO19/c1-15-16-43-17-18-44-27-36(6)59(87-55-31-66(13,77)62(41(11)82-55)69-42(12)70)34(4)25-32(2)46-20-19-45-57(67(46,14)63(74)56-64(75)68(44,30-43)88-65(56)76)33(3)26-35(5)60(45)85-52-24-22-49(38(8)79-52)83-54-29-50(84-51-23-21-47(71)37(7)78-51)61(40(10)81-54)86-53-28-48(72)58(73)39(9)80-53/h17-20,25,27,33-35,37-41,43-55,57-62,71-74,77H,15-16,21-24,26,28-31H2,1-14H3,(H,69,70)/b32-25+,36-27+,63-56?
InChIKeyLBCQGQTZUGGFHD-GQCVMVRHSA-N
Species of MetaboliteComponentSourceComments
Saccharothrix (ncbitaxon:2071) - PubMed (9099220)
ChEBI Ontology
Outgoing Relation(s)
Saccharosacrin F (CHEBI:203312) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
N-[6-[[(7E,11E)-17-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-23-hydroxy-8,10,12,18,20,22-hexamethyl-25,27-dioxo-3-propyl-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