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CHEBI:214186 - Lithocarin A

ChEBI IDCHEBI:214186
ChEBI NameLithocarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H38O5
Net Charge0
Average Mass430.585
Monoisotopic Mass430.27192
SMILESCC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](OC(=O)C(C)C(O)/C=C/C=C/CC(C)O)[C@@H]2C
InChIInChI=1S/C26H38O5/c1-16(2)21-15-26(6)19(5)24(13-12-20(26)14-23(21)29)31-25(30)18(4)22(28)11-9-7-8-10-17(3)27/h7-9,11,14,17-19,22,24,27-28H,10,12-13,15H2,1-6H3/b8-7+,11-9+/t17?,18?,19-,22?,24+,26+/m0/s1
InChIKeyJRJUFEPZJLDKBP-WMLCCDPLSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (30208615)
ChEBI Ontology
Outgoing Relation(s)
Lithocarin A (CHEBI:214186) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (4E,6E)-3,9-dihydroxy-2-methyldeca-4,6-dienoate
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78445629ChemSpider