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CHEBI:188105 - 22-Angeloyltheasapogenol A

Default Structure
ChEBI IDCHEBI:188105
ChEBI Name22-Angeloyltheasapogenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O7
Net Charge0
Average Mass588.826
Monoisotopic Mass588.40260
SMILESC/C=C(/C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO
InChIInChI=1S/C35H56O7/c1-9-20(2)29(41)42-28-27(40)30(3,4)16-22-21-10-11-24-31(5)14-13-25(38)32(6,18-36)23(31)12-15-33(24,7)34(21,8)17-26(39)35(22,28)19-37/h9-10,22-28,36-40H,11-19H2,1-8H3/b20-9-
InChIKeyBKBHDJLHSWOMFP-UKWGHVSLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
22-Angeloyltheasapogenol A (CHEBI:188105) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[3,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
35013498ChemSpider
HMDB0032831HMDB