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CHEBI:203131 - Lobophorin D

ChEBI IDCHEBI:203131
ChEBI NameLobophorin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H92N2O19
Net Charge0
Average Mass1157.402
Monoisotopic Mass1156.62943
SMILESCOC(=O)NC1C(C)OC(O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](OC5CC(OC6CC(O)C(OC7CC(O)C(OC)C(C)O7)C(C)O6)C(O)C(C)O5)[C@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(C[C@@H](C)C(CO)=C[C@H]4/C=C\2C)C3=O)CC1(C)N
InChIInChI=1S/C61H92N2O19/c1-27-14-17-42(78-47-25-59(10,62)54(35(9)77-47)63-58(71)73-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)82-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)80-46-23-43(50(67)32(6)74-46)79-44-22-41(66)53(34(8)76-44)81-45-21-40(65)52(72-12)33(7)75-45/h14-16,19-20,29-35,37-47,49-54,64-68H,17-18,21-26,62H2,1-13H3,(H,63,71)/b27-14-,28-19-,55-48-/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-/m0/s1
InChIKeyBFIFMYVVBKSDFE-OTHQJNQTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21556165)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin D (CHEBI:203131) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[4-amino-6-[[(1S,3R,6S,7Z,9S,11Z,13S,16S,17S,18R,20S,21R,22S,23Z)-23-hydroxy-17-[5-hydroxy-4-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-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
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