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CHEBI:214652 - Inonoalliacane D

ChEBI IDCHEBI:214652
ChEBI NameInonoalliacane D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O7
Net Charge0
Average Mass382.453
Monoisotopic Mass382.19915
SMILESC=C(CO)[C@]12O[C@@]13[C@H](CC(C)(C)[C@@H]3OC(=O)C(O)C(C)C)[C@H](C)[C@H](O)C2=O
InChIInChI=1S/C20H30O7/c1-9(2)13(22)16(25)26-17-18(5,6)7-12-11(4)14(23)15(24)19(10(3)8-21)20(12,17)27-19/h9,11-14,17,21-23H,3,7-8H2,1-2,4-6H3/t11-,12+,13?,14-,17-,19+,20+/m0/s1
InChIKeyTYSMGDPIYYHWHH-WMHHHQFYSA-N
Species of MetaboliteComponentSourceComments
Inonotus (ncbitaxon:40468) - PubMed (28173949)
ChEBI Ontology
Outgoing Relation(s)
Inonoalliacane D (CHEBI:214652) 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-3-methylbutanoate
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78442140ChemSpider