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CHEBI:222741 - 25-hydroxyophiobolin I

ChEBI IDCHEBI:222741
ChEBI Name25-hydroxyophiobolin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O4
Net Charge0
Average Mass400.559
Monoisotopic Mass400.26136
SMILESCC1=CC(=O)[C@H]2/C(CO)=C\C[C@@H]3[C@](C)(CC[C@@]34O[C@@H](/C=C(/C)CO)C[C@@H]4C)C[C@H]12
InChIInChI=1S/C25H36O4/c1-15(13-26)9-19-11-17(3)25(29-19)8-7-24(4)12-20-16(2)10-21(28)23(20)18(14-27)5-6-22(24)25/h5,9-10,17,19-20,22-23,26-27H,6-8,11-14H2,1-4H3/b15-9-,18-5-/t17-,19-,20+,22+,23-,24+,25-/m0/s1
InChIKeyAQGWDSZHWQWPPZ-LYDXBNIFSA-N
Species of MetaboliteComponentSourceComments
Drechsleraspecies (ncbitaxon:67606) - PubMed (16593832)
ChEBI Ontology
Outgoing Relation(s)
25-hydroxyophiobolin I (CHEBI:222741) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-8'-(hydroxymethyl)-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]-1',3,4'-trimethylspiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-6'-one