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CHEBI:222736 - Ophiobolin I

ChEBI IDCHEBI:222736
ChEBI NameOphiobolin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O3
Net Charge0
Average Mass384.560
Monoisotopic Mass384.26645
SMILESCC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@H]4/C(CO)=C\C[C@H]32)O1
InChIInChI=1S/C25H36O3/c1-15(2)10-19-12-17(4)25(28-19)9-8-24(5)13-20-16(3)11-21(27)23(20)18(14-26)6-7-22(24)25/h6,10-11,17,19-20,22-23,26H,7-9,12-14H2,1-5H3/b18-6-/t17-,19-,20+,22+,23-,24+,25-/m0/s1
InChIKeyPWHAYWTWJLFKJT-MUKMEUIDSA-N
Species of MetaboliteComponentSourceComments
Drechsleraspecies (ncbitaxon:67606) - PubMed (16593832)
ChEBI Ontology
Outgoing Relation(s)
Ophiobolin I (CHEBI:222736) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(1'R,2S,3S,3'S,5R,7'R,8'E,11'R)-8'-(hydroxymethyl)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)spiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-6'-one
Manual XrefsDatabases
24695352ChemSpider