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CHEBI:213524 - Lobophorin H

ChEBI IDCHEBI:213524
ChEBI NameLobophorin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H88N2O21
Net Charge0
Average Mass1185.368
Monoisotopic Mass1184.58796
SMILESCO[C@@H]1[C@H](O)C[C@@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3C[C@H](O[C@@H]4[C@H]5C=C[C@H]6/C(C)=C/C[C@H](O[C@H]7C[C@](C)([N+](=O)[O-])[C@@H](NOC(C)=O)[C@@H](C)O7)/C(C)=C/[C@@H]7C=C(C=O)[C@H](C)C[C@]78OC(=O)C(=C(O)[C@@]6(C)[C@@H]5[C@@H](C)C[C@@H]4C)C8=O)O[C@@H](C)[C@@H]3O)O[C@H]2C)O[C@H]1C
InChIInChI=1S/C61H88N2O21/c1-27-14-17-43(79-48-25-59(11,63(72)73)55(35(9)78-48)62-84-36(10)65)28(2)19-38-20-37(26-64)31(5)24-61(38)57(70)49(58(71)83-61)56(69)60(12)40(27)16-15-39-50(60)29(3)18-30(4)52(39)81-47-23-44(51(68)32(6)75-47)80-45-22-42(67)54(34(8)77-45)82-46-21-41(66)53(74-13)33(7)76-46/h14-16,19-20,26,29-35,38-48,50-55,62,66-69H,17-18,21-25H2,1-13H3/b27-14+,28-19+,56-49?/t29-,30-,31+,32-,33-,34-,35+,38+,39-,40-,41+,42+,43-,44+,45-,46+,47-,48-,50+,51-,52-,53-,54-,55-,59-,60+,61-/m0/s1
InChIKeyUUTSUDGQGZAXEW-ZGFIGGEESA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies 12A35 (ncbitaxon:1367879) - PubMed (24132178)
Streptomycesspecies (ncbitaxon:1931) - PubMed (24220110)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin H (CHEBI:213524) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[[(2R,3R,4S,6R)-6-[[(1S,3R,6R,7E,9S,11E,13S,16S,17S,18S,20S,21R,22S)-4-ormyl-23-hydroxy-17-[(2R,4R,5S,6S)-5-hydroxy-4-[(2S,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]amino] acetate