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CHEBI:217367 - Lobophorin H12

ChEBI IDCHEBI:217367
ChEBI NameLobophorin H12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H58N2O11
Net Charge0
Average Mass766.929
Monoisotopic Mass766.40406
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(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+](=O)[O-]
InChIInChI=1S/C42H58N2O11/c1-20-11-14-30(45)22(3)17-27-16-21(2)25(6)18-42(27)37(47)32(38(48)55-42)36(46)41(9)29(20)13-12-28-33(41)23(4)15-24(5)34(28)54-31-19-40(8,44(50)51)35(26(7)53-31)43-39(49)52-10/h11-13,16-17,23-31,33-35,45-46H,14-15,18-19H2,1-10H3,(H,43,49)/t23-,24-,25+,26-,27-,28-,29-,30-,31-,33+,34-,35-,40-,41+,42-/m0/s1
InChIKeyCBGMESUIRMKNHU-WMAKSIOISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31971807)
ChEBI Ontology
Outgoing Relation(s)
Lobophorin H12 (CHEBI:217367) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
methyl N-[(2S,3R,4S,6R)-6-[[(1S,3R,6S,9S,13S,16S,17S,18S,20S,21R,22S)-9,23-dihydroxy-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-dimethyl-4-nitrooxan-3-yl]carbamate