Lithocarin C (CHEBI:211285)

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CHEBI:211285 - Lithocarin C

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ChEBI ID	CHEBI:211285
ChEBI Name	Lithocarin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H40O6
Net Charge	0
Average Mass	472.622
Monoisotopic Mass	472.28249
SMILES	CC(=O)OC(C)C/C=C/C=C/C(O)C(C)C(=O)O[C@@H]1CCC2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C
InChI	InChI=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/h8-10,12,15,18-20,24,26,30H,11,13-14,16H2,1-7H3/b9-8+,12-10+/t18?,19?,20-,24?,26+,28+/m0/s1
InChIKey	GTEPJOCJNHDXQV-QYAGHIRVSA-N

Species of Metabolite	Component	Source	Comments
Diaporthe (ncbitaxon:36922)	-	PubMed (31284016)

ChEBI Ontology

Outgoing Relation(s)
	Lithocarin C (CHEBI:211285) 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)-9-acetyloxy-3-hydroxy-2-methyldeca-4,6-dienoate