EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70370 - maoecrystal J

ChEBI IDCHEBI:70370
ChEBI Namemaoecrystal J
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H32O8
Net Charge0
Average Mass448.512
Monoisotopic Mass448.20972
SMILES[H][C@@]12CC[C@@H]3C[C@]1(C(=O)C3=C)[C@@]1(O)OC[C@]23CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C24H32O8/c1-12-15-5-6-16-22-8-7-17(32-14(3)26)21(4,10-30-13(2)25)18(22)20(28)24(29,31-11-22)23(16,9-15)19(12)27/h15-18,20,28-29H,1,5-11H2,2-4H3/t15?,16-,17-,18+,20-,21+,22+,23-,24-/m0/s1
InChIKeySLUROFCVEYCYDJ-BYIKJKJNSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
maoecrystal J (CHEBI:70370) has role metabolite (CHEBI:25212)
maoecrystal J (CHEBI:70370) is a kaurane diterpenoid (CHEBI:53666)
Citations