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CHEBI:176151 - (3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al

Default Structure
ChEBI IDCHEBI:176151
ChEBI Name(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O7
Net Charge0
Average Mass586.810
Monoisotopic Mass586.38695
SMILESC/C=C(\C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C21CO
InChIInChI=1S/C35H54O7/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/h9-10,18,22-28,37-40H,11-17,19H2,1-8H3/b20-9+
InChIKeyIQYIDEWXVLGTDZ-AWQFTUOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(3b,16a,21b,22a)-12-Oleanene-3,16,21,23,28-pentol-22-angeloyloxy-23-al (CHEBI:176151) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[9-ormyl-3,5,10-trihydroxy-4a-(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] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
35013499ChemSpider
HMDB0032832HMDB