CHEBI:211285 - Lithocarin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Lithocarin C
ChEBI ID CHEBI:211285
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40O6
Net Charge 0
Average Mass 472.622
Monoisotopic Mass 472.28249
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
SMILES O=C1C(=C(C)C)C[C@@]2([C@H]([C@H](OC(=O)C(C(O)/C=C/C=C/CC(OC(=O)C)C)C)CCC2=C1)C)C
Metabolite of Species Details
Diaporthe (NCBI:txid36922) See: PubMed
ChEBI Ontology
Outgoing 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