Ophiobolin R (CHEBI:208807)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:208807 - Ophiobolin R

Take structure to advanced search

ChEBI ID	CHEBI:208807
ChEBI Name	Ophiobolin R
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H38O4
Net Charge	0
Average Mass	414.586
Monoisotopic Mass	414.27701
SMILES	COC(C=C[C@H](C)[C@H]1CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3/C(C=O)=C\C[C@@H]12)C(C)(C)O
InChI	InChI=1S/C26H38O4/c1-16(7-10-23(30-6)25(3,4)29)19-11-12-26(5)14-20-17(2)13-22(28)24(20)18(15-27)8-9-21(19)26/h7-8,10,13,15-16,19-21,23-24,29H,9,11-12,14H2,1-6H3/b10-7?,18-8-/t16-,19+,20+,21-,23?,24-,26+/m0/s1
InChIKey	VDDDNUHBNZDCIZ-DJSDRJBNSA-N

Species of Metabolite	Component	Source	Comments
[Ulocladiumspecies (ncbitaxon:1914427)	-	PubMed (23954177)

ChEBI Ontology

Outgoing Relation(s)
	Ophiobolin R (CHEBI:208807) is a sesterterpenoid (CHEBI:26660)

IUPAC Name
(1R,3S,7R,8E,11S,12R)-12-[(2S)-6-hydroxy-5-methoxy-6-methylhept-3-en-2-yl]-1,4-dimethyl-6-oxotricyclo[9.3.0.03,7]tetradeca-4,8-diene-8-carbaldehyde

Manual Xrefs	Databases
78443488	ChemSpider