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CHEBI:211280 - Lithocarin B

ChEBI IDCHEBI:211280
ChEBI NameLithocarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
SMILESC=C(C)[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)C(C)C(O)/C=C/C=C/CC(C)OC(C)=O)[C@@H]2C
InChIInChI=1S/C28H40O6/c1-17(2)23-16-28(7)20(5)26(14-13-22(28)15-25(23)31)34-27(32)19(4)24(30)12-10-8-9-11-18(3)33-21(6)29/h8-10,12,15,18-20,23-24,26,30H,1,11,13-14,16H2,2-7H3/b9-8+,12-10+/t18?,19?,20-,23-,24?,26+,28+/m0/s1
InChIKeyJHCPVFZPASTLDV-CKEAXHSXSA-N
Species of MetaboliteComponentSourceComments
Diaporthe (ncbitaxon:36922) - PubMed (31284016)
ChEBI Ontology
Outgoing Relation(s)
Lithocarin B (CHEBI:211280) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (4E,6E)-9-acetyloxy-3-hydroxy-2-methyldeca-4,6-dienoate