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CHEBI:176043 - Germanicol cinnamate

Default Structure
ChEBI IDCHEBI:176043
ChEBI NameGermanicol cinnamate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H56O2
Net Charge0
Average Mass556.875
Monoisotopic Mass556.42803
SMILESCC1(C)C=C2C3CCC4C5(C)CCC(OC(=O)/C=C/c6ccccc6)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1
InChIInChI=1S/C39H56O2/c1-34(2)22-23-36(5)24-25-38(7)28(29(36)26-34)15-16-31-37(6)20-19-32(35(3,4)30(37)18-21-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-14,17,26,28,30-32H,15-16,18-25H2,1-8H3/b17-14+
InChIKeyWWIUVLNRTOHDES-SAPNQHFASA-N
ChEBI Ontology
Outgoing Relation(s)
Germanicol cinnamate (CHEBI:176043) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,13,14,14a-tetradecahydropicen-3-yl) (E)-3-phenylprop-2-enoate
Manual XrefsDatabases
35013732ChemSpider
HMDB0034514HMDB