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CHEBI:169099 - 3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:169099
ChEBI Name3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O6
Net Charge0
Average Mass556.784
Monoisotopic Mass556.37639
SMILESCC(=O)OC1CCC2(C)C3=C(CCC2C1(C)C)C1(C)C(OC(C)=O)CC(C(C)CC/C=C(/C)C(=O)O)C1(C)CC3
InChIInChI=1S/C34H52O6/c1-20(11-10-12-21(2)30(37)38)26-19-29(40-23(4)36)34(9)25-13-14-27-31(5,6)28(39-22(3)35)16-17-32(27,7)24(25)15-18-33(26,34)8/h12,20,26-29H,10-11,13-19H2,1-9H3,(H,37,38)/b21-12-
InChIKeyFFHZCNIREJAVOS-MTJSOVHGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3beta,15alpha-Diacetoxylanosta-8,24-dien-26-oic acid (CHEBI:169099) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(Z)-6-(3,15-diacetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
Manual XrefsDatabases
HMDB0036442HMDB