CHEBI:207014 - Plicatilisin G

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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 Plicatilisin G
ChEBI ID CHEBI:207014
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-9(2)12-15(22)16(23)14-17-13-11(18(24)25-17)10(21)5-6-19(13,3)7-8-20(12,14)4/h9-10,12,14-17,21-23H,5-8H2,1-4H3/t10-,12-,14+,15+,16-,17-,19-,20+/m0/s1
InChIKey ADENOZDDISKJRN-MYZCZZDYSA-N
SMILES O=C1O[C@@H]2[C@@H]3[C@@]([C@@H](C(C)C)[C@H]([C@H]3O)O)(CC[C@]4(C2=C1[C@@H](O)CC4)C)C
Metabolite of Species Details
Parasola plicatilis (NCBI:txid76939) See: DOI
ChEBI Ontology
Outgoing Plicatilisin G (CHEBI:207014) is a butenolide (CHEBI:50523)
IUPAC Name
(1R,2R,3S,4R,5R,6R,9R,12S)-3,4,12-trihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-14-one
Manual Xref Database
32742614 ChemSpider
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