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CHEBI:192014 - Boswellic acid

Default Structure
ChEBI IDCHEBI:192014
ChEBI NameBoswellic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O3
Net Charge0
Average Mass456.711
Monoisotopic Mass456.36035
SMILES[H][C@]12CC=C3[C@@](C)(CC[C@@]4(C)CC[C@@H](C)[C@H](C)[C@@]34[H])[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O
InChIInChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1
InChIKeyNBGQZFQREPIKMG-PONOSELZSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Boswellic acid (CHEBI:192014) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid
Manual XrefsDatabases
147762ChemSpider
HMDB0002388HMDB
Registry NumbersSources
CAS:631-69-6ChemIDplus