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CHEBI:192200 - Debenzoylzucchini factor B

Default Structure
ChEBI IDCHEBI:192200
ChEBI NameDebenzoylzucchini factor B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H53NO3
Net Charge0
Average Mass559.835
Monoisotopic Mass559.40254
SMILESCC1(CO)CCC2(C)CCC3(C)C4=CCC5C(C)(CCC(OC(=O)c6ccc(N)cc6)C5(C)C)C4=CCC3(C)C2C1
InChIInChI=1S/C37H53NO3/c1-32(2)28-13-12-27-26(35(28,5)16-15-30(32)41-31(40)24-8-10-25(38)11-9-24)14-17-37(7)29-22-33(3,23-39)18-19-34(29,4)20-21-36(27,37)6/h8-12,14,28-30,39H,13,15-23,38H2,1-7H3
InChIKeyZWMUXUKAKHYXMZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Debenzoylzucchini factor B (CHEBI:192200) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate
Manual XrefsDatabases
35014371ChemSpider
HMDB0037102HMDB