CHEBI:222894 - Dongtingnoid F

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ChEBI Name Dongtingnoid F
ChEBI ID CHEBI:222894
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O4
Net Charge 0
Average Mass 334.456
Monoisotopic Mass 334.21441
InChI InChI=1S/C20H30O4/c1-11(9-21)14-6-7-19(3)8-15-12(2)18(22)20(23)17(15)13(10-24-20)4-5-16(14)19/h11,13,17-18,21-23H,4-10H2,1-3H3/t11-,13+,17-,18+,19+,20-/m0/s1
InChIKey SZORAQMTTXMFEW-SWGVZGGQSA-N
SMILES O1[C@]2(O)[C@H](O)C(C)=C3[C@@H]2[C@@H](C1)CCC4=C([C@H](CO)C)CC[C@@]4(C3)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Dongtingnoid F (CHEBI:222894) is a oxolanes (CHEBI:26912)
IUPAC Name
(3R,10S,13S,14R,16S)-6-[(2R)-1-hydroxypropan-2-yl]-3,15-dimethyl-12-oxatetracyclo[8.5.1.03,7.013,16]hexadeca-1(15),6-diene-13,14-diol