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CHEBI:227311 - Lobophorin CR1

ChEBI IDCHEBI:227311
ChEBI NameLobophorin CR1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H91NO20
Net Charge0
Average Mass1158.386
Monoisotopic Mass1157.61344
SMILESCOC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@@H]6C[C@@H](C)[C@H](O[C@H]7C[C@@H](O)[C@@H](OC)[C@H](C)O7)[C@H](O)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)O[C@]4(C[C@@H](C)C(CO)=C[C@H]4C=C2C)C3=O)C[C@]1(C)O
InChIInChI=1S/C61H91NO20/c1-27-14-17-41(77-46-25-59(10,71)53(35(9)76-46)62-58(70)73-13)28(2)19-37-21-36(26-63)32(6)24-61(37)55(67)47(56(68)82-61)54(66)60(11)39(27)16-15-38-48(60)29(3)18-30(4)50(38)79-45-23-42(49(65)33(7)74-45)78-43-20-31(5)51(57(69)81-43)80-44-22-40(64)52(72-12)34(8)75-44/h14-16,19,21,29-35,37-46,48-53,57,63-66,69,71H,17-18,20,22-26H2,1-13H3,(H,62,70)/b27-14+,28-19?,54-47?/t29-,30-,31+,32+,33-,34-,35+,37+,38-,39-,40+,41-,42+,43-,44-,45-,46-,48+,49-,50-,51-,52-,53-,57+,59-,60+,61-/m0/s1
InChIKeyBASUTJPBQPISSG-QZOPSENTSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26288688)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin CR1 (CHEBI:227311) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2R,3S,4S,6R)-4-hydroxy-6-[[(1S,3R,6S,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-23-hydroxy-17-[(2R,4R,5S,6S)-5-hydroxy-4-[(2S,4R,5S,6R)-6-hydroxy-5-[(2S,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-(hydroxymethyl)-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-dimethyloxan-3-yl]carbamate