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CHEBI:227316 - Lobophorin CR2

ChEBI IDCHEBI:227316
ChEBI NameLobophorin CR2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H90N2O22
Net Charge0
Average Mass1203.383
Monoisotopic Mass1202.59852
SMILESC=C1C(O)C[C@H](O[C@H]2C[C@](C)([N+](=O)[O-])[C@@H](NC(=O)OC)[C@@H](C)O2)/C(C)=C/[C@@H]2C=C(CO)[C@H](C)C[C@]23OC(=O)C(=C(O)[C@@]2(C)[C@H]4[C@H](C=C[C@@H]12)[C@@H](O[C@H]1C[C@@H](O[C@@H]2C[C@@H](C)[C@H](O[C@H]5C[C@@H](O)[C@@H](OC)[C@H](C)O5)[C@H](O)O2)[C@@H](O)[C@H](C)O1)[C@@H](C)C[C@@H]4C)C3=O
InChIInChI=1S/C61H90N2O22/c1-26-17-36-19-35(25-64)30(5)23-61(36)55(69)47(56(70)85-61)54(68)60(11)38(31(6)39(65)20-41(26)80-46-24-59(10,63(73)74)53(34(9)79-46)62-58(72)76-13)15-14-37-48(60)27(2)16-28(3)50(37)82-45-22-42(49(67)32(7)77-45)81-43-18-29(4)51(57(71)84-43)83-44-21-40(66)52(75-12)33(8)78-44/h14-15,17,19,27-30,32-34,36-46,48-53,57,64-68,71H,6,16,18,20-25H2,1-5,7-13H3,(H,62,72)/b26-17+,54-47?/t27-,28-,29+,30+,32-,33-,34+,36+,37-,38-,39?,40+,41-,42+,43-,44-,45-,46-,48+,49-,50-,51-,52-,53-,57+,59-,60+,61-/m0/s1
InChIKeyHHGVCWNZIMOCIY-UXWRROBPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (26288688)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin CR2 (CHEBI:227316) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2R,3R,4S,6R)-6-[[(1S,3R,6S,7E,9S,13S,16S,17S,18S,20S,21R,22S)-11,23-dihydroxy-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)-3,8,18,20,22-pentamethyl-12-methylidene-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,14,23-tetraen-9-yl]oxy]-2,4-dimethyl-4-nitrooxan-3-yl]carbamate