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CHEBI:203431 - Lobophorin F

ChEBI IDCHEBI:203431
ChEBI NameLobophorin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H78N2O17
Net Charge0
Average Mass1027.215
Monoisotopic Mass1026.53005
SMILESCOC(=O)N[C@@H]1[C@H](C)O[C@@H](OC2CC=C(C)[C@H]3C=C[C@H]4[C@H](O[C@@H]5C[C@@H](O[C@@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](C)O5)[C@H](C)C[C@@H](C)[C@@H]4[C@@]3(C)C(O)=C3C(=O)OC4(C[C@H](C)C(C)=C[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-]
InChIInChI=1S/C54H78N2O17/c1-24-13-16-37(70-41-23-52(10,56(64)65)47(32(9)69-41)55-51(63)66-12)26(3)19-33-18-25(2)29(6)22-54(33)49(61)42(50(62)73-54)48(60)53(11)35(24)15-14-34-43(53)27(4)17-28(5)46(34)72-40-21-38(45(59)31(8)68-40)71-39-20-36(57)44(58)30(7)67-39/h13-15,18-19,27-41,43-47,57-60H,16-17,20-23H2,1-12H3,(H,55,63)/t27-,28-,29+,30+,31+,32+,33+,34-,35-,36-,37?,38-,39-,40-,41+,43+,44+,45+,46-,47-,52-,53+,54?/m1/s1
InChIKeyMVMHAFZCUXRAAA-TZKIJQPBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21897400)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin F (CHEBI:203431) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2S,3S,4R,6R)-6-[[(3S,6S,13R,16R,17R,18R,20R,21S,22R)-17-[(2S,4R,5S,6S)-4-[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-23-hydroxy-3,4,8,12,18,20,22-heptamethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,11,14,23-pentaen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate