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CHEBI:198170 - (+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid

Default Structure
ChEBI IDCHEBI:198170
ChEBI Name(+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H44O5
Net Charge0
Average Mass496.688
Monoisotopic Mass496.31887
SMILESC=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C(=O)O
InChIInChI=1S/C31H44O5/c1-18(2)22-9-10-25-24(29(22,6)14-13-27(33)34)12-16-30(7)23(11-15-31(25,30)8)19(3)17-26(32)20(4)21(5)28(35)36/h10,12,19,21-23H,1,4,9,11,13-17H2,2-3,5-8H3,(H,33,34)(H,35,36)/t19-,21?,22-,23-,29+,30-,31+/m1/s1
InChIKeyZJMBUNAZIDNVOV-KUDMQRJLSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (16356517)
ChEBI Ontology
Outgoing Relation(s)
(+)-23-oxo-3,4-seco-lanosta-4(28),7(8),9(11),24(31)-tetraene-3,26-dicarboxylic acid (CHEBI:198170) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-2-methyl-3-methylidene-4-oxoheptanoic acid
Manual XrefsDatabases
9758888ChemSpider