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CHEBI:222900 - Dongtingnoid G

ChEBI IDCHEBI:222900
ChEBI NameDongtingnoid G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(CO)C1=C2CC[C@H](CO)C3=C(C[C@@]2(C)CC1)[C@H](C)[C@@H](O)C3=O
InChIInChI=1S/C20H30O4/c1-11(9-21)14-6-7-20(3)8-15-12(2)18(23)19(24)17(15)13(10-22)4-5-16(14)20/h11-13,18,21-23H,4-10H2,1-3H3/t11?,12-,13+,18+,20+/m0/s1
InChIKeyQNDHAMGPYFFBHA-OPXROKOESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (30632752)
ChEBI Ontology
Outgoing Relation(s)
Dongtingnoid G (CHEBI:222900) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,4S,5R,8S)-5-hydroxy-8-(hydroxymethyl)-12-(1-hydroxypropan-2-yl)-1,4-dimethyltricyclo[9.3.0.03,7]tetradeca-3(7),11-dien-6-one