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CHEBI:217342 - Lobophorin H4

ChEBI IDCHEBI:217342
ChEBI NameLobophorin H4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H74N4O14
Net Charge0
Average Mass967.167
Monoisotopic Mass966.52015
SMILESCOC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H]3C=C[C@H]4C(C)=CC[C@H](O[C@H]5C[C@](C)([N+](=O)[O-])[C@@H](NC(=O)OC)[C@@H](C)O5)C(C)=C[C@@H]5C=C(C)[C@H](C)C[C@]56OC(=O)C(=C(O)[C@@]4(C)[C@@H]3[C@@H](C)C[C@@H]2C)C6=O)C[C@]1(C)N
InChIInChI=1S/C51H74N4O14/c1-24-14-17-35(67-37-23-49(10,55(61)62)42(31(8)66-37)54-47(60)64-13)26(3)20-32-19-25(2)29(6)21-51(32)44(57)38(45(58)69-51)43(56)50(11)34(24)16-15-33-39(50)27(4)18-28(5)40(33)68-36-22-48(9,52)41(30(7)65-36)53-46(59)63-12/h14-16,19-20,27-37,39-42,56H,17-18,21-23,52H2,1-13H3,(H,53,59)(H,54,60)/t27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,39+,40-,41-,42-,48-,49-,50+,51-/m0/s1
InChIKeyBKZNULNPQPUQJB-VSQFMRCUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31971807)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin H4 (CHEBI:217342) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2S,3R,4S,6R)-4-amino-6-[[(1S,3R,6S,9S,13S,16S,17S,18S,20S,21R,22S)-23-hydroxy-9-[(2R,4S,5R,6R)-5-(methoxycarbonylamino)-4,6-dimethyl-4-nitrooxan-2-yl]oxy-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-17-yl]oxy]-2,4-dimethyloxan-3-yl]carbamate