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CHEBI:205360 - Dehydrotrametenonic acid

Default Structure
ChEBI IDCHEBI:205360
ChEBI NameDehydrotrametenonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O3
Net Charge0
Average Mass452.679
Monoisotopic Mass452.32905
SMILESCC(C)=CCCC(C(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
InChIInChI=1S/C30H44O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,11,14,20-21,24H,8,10,12-13,15-18H2,1-7H3,(H,32,33)/t20?,21-,24+,28-,29-,30+/m1/s1
InChIKeyPLNOCPRTFZIBRT-DBAPKEHCSA-N
Species of MetaboliteComponentSourceComments
Wolfiporia cocos (ncbitaxon:81056) - PubMed (14981314)
ChEBI Ontology
Outgoing Relation(s)
Dehydrotrametenonic acid (CHEBI:205360) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid
Manual XrefsDatabases
23285002ChemSpider