CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_190086 http://purl.obolibrary.org/obo/CHEBI_190086 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_190086 Loading
Preferred name	O-Methylganoderic acid O
Synonyms	(E)-5-acetyloxy-6-(3,15-diacetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles	O(C1C2(C(C(C1)C(C(OC(=O)C)C/C=C(C)/C(O)=O)C)(CCC=3C4(C(C(C(OC(=O)C)CC4)(C)C)CC(OC)C23)C)C)C)C(=O)C
obo_purl:charge	0
obo_purl:inchikey	GXKWNYCHKLAQPO-UDWIEESQSA-N
oboinowl_gen:hasDbXref	HMDB:HMDB0035978 Chemspider:74886444
skos:notation	CHEBI:190086
oboinowl_gen:hasExactSynonym	(E)-5-acetyloxy-6-(3,15-diacetyloxy-7-methoxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid
obo_purl:mass	644.846
obo_purl:inchi	InChI=1S/C37H56O9/c1-20(33(41)42)12-13-27(44-22(3)38)21(2)26-18-31(46-24(5)40)37(10)32-25(14-17-36(26,37)9)35(8)16-15-30(45-23(4)39)34(6,7)29(35)19-28(32)43-11/h12,21,26-31H,13-19H2,1-11H3,(H,41,42)/b20-12+
obo_purl:formula	C37H56O9
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:190086
rdfs:label	O-Methylganoderic acid O
obo_purl:monoisotopicmass	644.39243
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_36615

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