CHEBI:222900 - Dongtingnoid G

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ChEBI Name Dongtingnoid G
ChEBI ID CHEBI:222900
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)14-6-7-20(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
InChIKey QNDHAMGPYFFBHA-OPXROKOESA-N
SMILES O=C1C2=C(C[C@@]3(C(=C(C(CO)C)CC3)CC[C@@H]2CO)C)[C@@H]([C@H]1O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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