EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213721 - Subnudatone A

ChEBI IDCHEBI:213721
ChEBI NameSubnudatone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O4
Net Charge0
Average Mass492.700
Monoisotopic Mass492.32396
SMILESC[C@@H]1CC[C@H]2[C@@H](C=C[C@](C)(O)[C@@]2(C)C(=O)/C=C/C2=CO[C@@]3(C)C=C[C@@H]4C[C@@H](C)CC[C@H]4[C@]3(C)C2=O)C1
InChIInChI=1S/C32H44O4/c1-20-7-10-25-22(17-20)13-15-29(3,35)31(25,5)27(33)12-9-24-19-36-30(4)16-14-23-18-21(2)8-11-26(23)32(30,6)28(24)34/h9,12-16,19-23,25-26,35H,7-8,10-11,17-18H2,1-6H3/b12-9+/t20-,21+,22+,23-,25+,26-,29+,30+,31-,32-/m1/s1
InChIKeyKFXNXODFQUQQGW-PYIUQNFNSA-N
ChEBI Ontology
Outgoing Relation(s)
Subnudatone A (CHEBI:213721) is a organic heterotricyclic compound (CHEBI:26979)
Subnudatone A (CHEBI:213721) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aS,6aS,8S,10aR,10bS)-2-[(E)-3-[(1S,2S,4aR,6R,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-oxoprop-1-enyl]-4a,8,10b-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[]chromen-1-one