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CHEBI:203141 - Abscisterol A

ChEBI IDCHEBI:203141
ChEBI NameAbscisterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H40O2
Net Charge0
Average Mass396.615
Monoisotopic Mass396.30283
SMILESC=C(CC/C=C1\CC[C@H]2C3=CC[C@H]4[C@H]5OC[C@@]4(CC[C@@H]5O)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C27H40O2/c1-17(2)18(3)6-5-7-19-8-10-21-20-9-11-23-25-24(28)13-15-27(23,16-29-25)22(20)12-14-26(19,21)4/h7,9,17,21-25,28H,3,5-6,8,10-16H2,1-2,4H3/b19-7+/t21-,22-,23-,24-,25+,26+,27-/m0/s1
InChIKeyGVNHJLFYRNHHBJ-JGABVDKBSA-N
Species of MetaboliteComponentSourceComments
Cryptosporiopsis (ncbitaxon:108533) - DOI (10.1016/s0040-4039(00)73365-x)
ChEBI Ontology
Outgoing Relation(s)
Abscisterol A (CHEBI:203141) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1S,2S,5S,6E,9S,13R,14R,15S)-5-methyl-6-(5-methyl-4-methylidenehexylidene)-19-oxapentacyclo[12.3.2.01,13.02,10.05,9]nonadec-10-en-15-ol
Manual XrefsDatabases
78436158ChemSpider