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CHEBI:222551 - Lobosamide D

ChEBI IDCHEBI:222551
ChEBI NameLobosamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO6
Net Charge0
Average Mass499.648
Monoisotopic Mass499.29339
SMILESCC1=C\[C@@]2(C)[C@@H]3[C@H]4[C@H](O)C[C@H](C)N4C(=O)[C@H]3C=C[C@H]2/C=C/[C@H](C)[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O)/C=C\C=C\1
InChIInChI=1S/C29H41NO6/c1-16-7-5-6-8-20(31)14-23(33)27(35)26(34)17(2)9-10-19-11-12-21-24(29(19,4)15-16)25-22(32)13-18(3)30(25)28(21)36/h5-12,15,17-27,31-35H,13-14H2,1-4H3/b7-5+,8-6-,10-9+,16-15+/t17-,18-,19+,20-,21-,22+,23-,24-,25+,26+,27+,29+/m0/s1
InChIKeyQNMVPLAOMNKLPD-KQAKJYIVSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (34969972)
ChEBI Ontology
Outgoing Relation(s)
Lobosamide D (CHEBI:222551) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2E,4S,5R,6R,7S,9R,10Z,12E,14E,16S,17R,18S,19R,21S,24S)-5,6,7,9,19-pentahydroxy-4,14,16,21-tetramethyl-22-azatetracyclo[14.10.0.017,24.018,22]hexacosa-2,10,12,14,25-pentaen-23-one