CHEBI:218651 - Phomactin V

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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 Phomactin V
ChEBI ID CHEBI:218651
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=1S/C20H30O3/c1-12-7-6-10-20(5)18(23-20)17(22)15-9-8-13(2)19(4,14(15)3)11-16(12)21/h7,9,13-14,16,18,21H,6,8,10-11H2,1-5H3/b12-7+/t13-,14-,16+,18+,19+,20+/m1/s1
InChIKey PCWBJBXZOODNTG-FMDUDUGBSA-N
SMILES O=C1C2=CC[C@@H](C)[C@@]([C@@H]2C)(C[C@H](O)C(C)=CCC[C@]3([C@H]1O3)C)C
Metabolite of Species Details
Biatriospora (NCBI:txid679174) See: PubMed
ChEBI Ontology
Outgoing Phomactin V (CHEBI:218651) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3R,5S,8E,10S,12S,13R,16S)-10-hydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one