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CHEBI:210769 - 3-anhydro-6-hydroxy-ophiobolin A

ChEBI IDCHEBI:210769
ChEBI Name3-anhydro-6-hydroxy-ophiobolin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@]4(O)/C(C=O)=C\C[C@H]32)O1
InChIInChI=1S/C25H34O4/c1-15(2)10-19-12-17(4)24(29-19)9-8-23(5)13-20-16(3)11-22(27)25(20,28)18(14-26)6-7-21(23)24/h6,10-11,14,17,19-21,28H,7-9,12-13H2,1-5H3/b18-6-/t17-,19-,20+,21+,23+,24-,25-/m0/s1
InChIKeyMNTJKNWRCITJMY-JCBJYGFASA-N
Species of MetaboliteComponentSourceComments
Bipolaris oryzae (ncbitaxon:101162) - PubMed (23668986)
ChEBI Ontology
Outgoing Relation(s)
3-anhydro-6-hydroxy-ophiobolin A (CHEBI:210769) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'R,5R,7'R,8'E,11'R)-7'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
Manual XrefsDatabases
29355724ChemSpider