CHEBI:214647 - Inonoalliacane 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 Inonoalliacane C
ChEBI ID CHEBI:214647
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O7
Net Charge 0
Average Mass 368.426
Monoisotopic Mass 368.18350
InChI InChI=1S/C19H28O7/c1-9(8-20)18-13(22)12(21)10(2)11-7-16(3,4)14(19(11,18)26-18)25-15(23)17(5,6)24/h10-12,14,20-21,24H,1,7-8H2,2-6H3/t10-,11+,12-,14-,18+,19+/m0/s1
InChIKey YAAFSBWDFJTVPU-FTPILBNTSA-N
SMILES O=C1[C@]2(O[C@]23[C@@H](OC(=O)C(O)(C)C)C(C)(C)C[C@@H]3[C@@H]([C@@H]1O)C)C(=C)CO
Metabolite of Species Details
Inonotus (NCBI:txid40468) See: PubMed
ChEBI Ontology
Outgoing Inonoalliacane C (CHEBI:214647) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
[(1R,3S,5S,6S,7R,10S)-5-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-6,9,9-trimethyl-4-oxo-2-oxatricyclo[5.3.0.01,3]decan-10-yl] 2-hydroxy-2-methylpropanoate
Manual Xref Database
78442139 ChemSpider
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