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CHEBI:211201 - Phomactin B

ChEBI IDCHEBI:211201
ChEBI NamePhomactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESC/C1=C\CC[C@@]2(C)O[C@@H]2C(=O)C2=C[C@H](O)[C@@H](C)[C@](C)(CC1)[C@@]2(C)O
InChIInChI=1S/C20H30O4/c1-12-7-6-9-19(4)17(24-19)16(22)14-11-15(21)13(2)18(3,10-8-12)20(14,5)23/h7,11,13,15,17,21,23H,6,8-10H2,1-5H3/b12-7+/t13-,15+,17-,18+,19-,20+/m1/s1
InChIKeyIXABPXZNFDNAMM-GMHJXKCVSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - DOI (10.1021/jo00082a012)
ChEBI Ontology
Outgoing Relation(s)
Phomactin B (CHEBI:211201) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,5R,8E,12S,13S,14S,16R)-14,16-dihydroxy-5,9,12,13,16-pentamethyl-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-dien-2-one
Manual XrefsDatabases
8149736ChemSpider