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CHEBI:216603 - Phomopene A

ChEBI IDCHEBI:216603
ChEBI NamePhomopene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O4
Net Charge0
Average Mass392.580
Monoisotopic Mass392.29266
SMILESC[C@H](O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3
InChIInChI=1S/C24H40O4/c1-13(25)14-9-11-23(5)15-7-8-17-21(2,3)19(27)18(26)20(28)24(17,6)16(15)10-12-22(14,23)4/h13-14,17-20,25-28H,7-12H2,1-6H3/t13-,14+,17-,18-,19-,20+,22+,23-,24+/m0/s1
InChIKeyYRRGQLSADBEQTB-YXJUSEAUSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/j.tetlet.2020.152578)
ChEBI Ontology
Outgoing Relation(s)
Phomopene A (CHEBI:216603) is a 1-hydroxy steroid (CHEBI:71017)
IUPAC Name 
(1S,2S,3R,5S,10S,13R,14R,17S)-17-[(1S)-1-hydroxyethyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,2,3-triol
Manual XrefsDatabases
101936392ChemSpider