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CHEBI:207790 - Botrysphin B

ChEBI IDCHEBI:207790
ChEBI NameBotrysphin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC=C[C@@]1(C)CC(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)[C@H]1O
InChIInChI=1S/C20H30O2/c1-6-19(4)12-14(21)16-13(17(19)22)8-9-15-18(2,3)10-7-11-20(15,16)5/h6,15,17,22H,1,7-12H2,2-5H3/t15-,17+,19-,20-/m0/s1
InChIKeyKAMYJAIOJODGLO-RKOGWWSCSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphin B (CHEBI:207790) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,4bS,8aS)-2-ethenyl-1-hydroxy-2,4b,8,8-tetramethyl-1,3,5,6,7,8a,9,10-octahydrophenanthren-4-one
Manual XrefsDatabases
78441648ChemSpider