CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_139480 http://purl.obolibrary.org/obo/CHEBI_139480 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_139480 Loading
Preferred name	(+)-O-methylkolavelool
Synonyms	(+)-O-methylkolavelool (3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Definitions	A diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	[C@@]1([C@@H](C)CC[C@]2([C@@]1([H])CCC=C2C)C)(CCC(C=C)(OC)C)C
obo_purl:charge	0
obo_purl:inchikey	VRVYZZJPEDVTBX-POFDQXHJSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_76969
oboinowl_gen:hasDbXref	MetaCyc:CPD-20432 PMID:25694050
obo_purl:IAO_0000115	A diterpenoid that is (+)-kolavelool in which the tertiary hydroxy hydrogen has been replaced by a methyl group.
skos:notation	CHEBI:139480
oboinowl_gen:hasExactSynonym	(+)-O-methylkolavelool (3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
obo_purl:mass	304.511
obo_purl:inchi	InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_138313
obo_purl:formula	C21H36O
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:139480
rdfs:label	(+)-O-methylkolavelool
obo_purl:monoisotopicmass	304.27662
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_138397 http://purl.obolibrary.org/obo/CHEBI_23849 http://purl.obolibrary.org/obo/CHEBI_25698

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