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CHEBI:200347 - Erythro-11alpha-hydroxyneocyclocitrinol

ChEBI IDCHEBI:200347
ChEBI NameErythro-11alpha-hydroxyneocyclocitrinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESC/C(=C\C(O)C(C)O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3[C@H](O)C[C@]12C
InChIInChI=1S/C25H36O5/c1-13(8-21(28)14(2)26)19-6-7-20-18-11-22(29)16-9-15(4-5-17(27)10-16)24(18)23(30)12-25(19,20)3/h4,8,11,14,16-17,19-21,23-24,26-28,30H,5-7,9-10,12H2,1-3H3/b13-8+/t14?,16-,17-,19+,20-,21?,23+,24+,25+/m0/s1
InChIKeyUCXIVCGQGYMRDA-CTDJYQMMSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1002/hlca.201300153)
ChEBI Ontology
Outgoing Relation(s)
Erythro-11alpha-hydroxyneocyclocitrinol (CHEBI:200347) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(2R,3R,5R,6R,9R,13S,15S)-6-[(E)-4,5-dihydroxyhex-2-en-2-yl]-3,15-dihydroxy-5-methyltetracyclo[11.4.1.02,10.05,9]octadeca-1(17),10-dien-12-one
Manual XrefsDatabases
78440822ChemSpider