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CHEBI:219943 - Pseudomonol

ChEBI IDCHEBI:219943
ChEBI NamePseudomonol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H93NO9
Net Charge0
Average Mass876.314
Monoisotopic Mass875.68503
SMILESC/C(=C\Cc1cc(C(=O)O)ccc1N)CC/C=C(\C)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(O)CCCC(C)(C)O
InChIInChI=1S/C52H93NO9/c1-40(19-11-20-41(2)22-23-42-39-43(45(54)55)24-25-44(42)53)21-12-27-47(5,57)29-14-31-49(7,59)33-16-35-51(9,61)37-18-38-52(10,62)36-17-34-50(8,60)32-15-30-48(6,58)28-13-26-46(3,4)56/h19,22,24-25,39,56-62H,11-18,20-21,23,26-38,53H2,1-10H3,(H,54,55)/b40-19+,41-22+
InChIKeyMPSCWAUCNYKYOU-HLOLQSLYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies SZ57 (ncbitaxon:2662259) - PubMed (31943579)
ChEBI Ontology
Outgoing Relation(s)
Pseudomonol (CHEBI:219943) is a polyterpenoid (CHEBI:26207)
IUPAC Name 
4-amino-3-[(2E,6E)-11,15,19,23,27,31,35-heptahydroxy-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6-dienyl]benzoic acid