CHEBI:214636 - Inonoalliacane A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A
ChEBI ID CHEBI:214636
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O6
Net Charge 0
Average Mass 352.427
Monoisotopic Mass 352.18859
InChI InChI=1S/C19H28O6/c1-9(2)15(23)24-16-17(5,6)7-12-11(4)13(21)14(22)18(10(3)8-20)19(12,16)25-18/h9,11-13,16,20-21H,3,7-8H2,1-2,4-6H3/t11-,12+,13-,16-,18+,19+/m0/s1
InChIKey AFSDJOFRPQAQSZ-OZRKAEAYSA-N
SMILES O=C1[C@]2(O[C@]23[C@@H](OC(=O)C(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 A (CHEBI:214636) 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-methylpropanoate
Manual Xref Database
78442137 ChemSpider
View more database links