EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197962 - Antrocamol LT2

ChEBI IDCHEBI:197962
ChEBI NameAntrocamol LT2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O6
Net Charge0
Average Mass448.600
Monoisotopic Mass448.28249
SMILESCOC1=C(OC)[C@H](OC(C)=O)[C@H](CC=C(C)CCC=C(C)C[C@H](O)C=C(C)C)[C@@H](C)C1=O
InChIInChI=1S/C26H40O6/c1-16(2)14-21(28)15-18(4)11-9-10-17(3)12-13-22-19(5)23(29)25(30-7)26(31-8)24(22)32-20(6)27/h11-12,14,19,21-22,24,28H,9-10,13,15H2,1-8H3/t19-,21-,22-,24-/m1/s1
InChIKeyFDCVVSTXMYZRHU-VDEHWKIFSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (25721423)
ChEBI Ontology
Outgoing Relation(s)
Antrocamol LT2 (CHEBI:197962) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,5R,6R)-6-[(9S)-9-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dimethoxy-5-methyl-4-oxocyclohex-2-en-1-yl] acetate