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CHEBI:202112 - Lobophorin I

ChEBI IDCHEBI:202112
ChEBI NameLobophorin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H88N2O21
Net Charge0
Average Mass1185.368
Monoisotopic Mass1184.58796
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]7C[C@@H](O)[C@@H](OC)[C@H](C)O7)[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=O)=C[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-]
InChIInChI=1S/C61H88N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,26,29-35,37-47,49-54,65-68H,17-18,21-25H2,1-13H3,(H,62,71)/t29-,30-,31+,32+,33+,34+,35+,37-,38-,39-,40-,41-,42?,43-,44-,45-,46-,47+,49+,50+,51-,52+,53+,54-,59-,60+,61?/m1/s1
InChIKeyFKPHBCYNXIGWLW-OZRRPFOLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24220110)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin I (CHEBI:202112) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2S,3S,4R,6R)-6-[[(3S,6R,13R,16R,17R,18R,20R,21S,22R)-4-ormyl-23-hydroxy-17-[(2S,4R,5S,6S)-5-hydroxy-4-[(2R,4R,5R,6S)-4-hydroxy-5-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,8,12,18,20,22-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]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate