CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_184661 http://purl.obolibrary.org/obo/CHEBI_184661 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_184661 Loading
Preferred name	Stoloniferone O
Synonyms	(6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	O[C@H]1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@H](C)/C=C/[C@@H](C(C)C)C)[H])(C1)C)[H])(C[C@@H](O)C=4[C@]2(C)C(=O)C=CC4)[H])[H]
obo_purl:charge	0
obo_purl:inchikey	CGFULCPZWJDTKE-SUXWPHJKSA-N
oboinowl_gen:hasDbXref	Chemspider:20565223 LIPID_MAPS_instance:LMST01031100
skos:notation	CHEBI:184661
oboinowl_gen:hasExactSynonym	(6R,8S,9S,10R,11R,13R,14S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,11-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-one
obo_purl:mass	426.641
obo_purl:inchi	InChI=1S/C28H42O3/c1-16(2)17(3)10-11-18(4)20-12-13-21-19-14-23(29)22-8-7-9-25(31)28(22,6)26(19)24(30)15-27(20,21)5/h7-11,16-21,23-24,26,29-30H,12-15H2,1-6H3/b11-10+/t17-,18+,19-,20+,21-,23+,24+,26+,27+,28+/m0/s1
obo_purl:formula	C28H42O3
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:184661
rdfs:label	Stoloniferone O
obo_purl:monoisotopicmass	426.31340
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_50403

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