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CHEBI:207786 - Botrysphin A

ChEBI IDCHEBI:207786
ChEBI NameBotrysphin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C[C@@]1(C)CC(=O)C2=C(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@H]1O
InChIInChI=1S/C20H30O3/c1-6-19(4)11-13(21)16-12(17(19)23)7-8-14-18(2,3)15(22)9-10-20(14,16)5/h6,14-15,17,22-23H,1,7-11H2,2-5H3/t14-,15-,17+,19-,20-/m0/s1
InChIKeyWRCBUXMBCDBTPF-QHOFPYNOSA-N
Species of MetaboliteComponentSourceComments
Neofusicoccum laricinum (ncbitaxon:121618) - PubMed (28609099)
ChEBI Ontology
Outgoing Relation(s)
Botrysphin A (CHEBI:207786) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2R,4bS,7S,8aR)-2-ethenyl-1,7-dihydroxy-2,4b,8,8-tetramethyl-1,3,5,6,7,8a,9,10-octahydrophenanthren-4-one
Manual XrefsDatabases
78441647ChemSpider