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CHEBI:215721 - Brabetaicicene X

ChEBI IDCHEBI:215721
ChEBI NameBrabetaicicene X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)C(=O)C[C@]3(C(C)C)O[C@]13C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H32O5/c1-12(2)20-10-17(23)18(4)8-15-14(6-7-19(15,24)11-25-5)13(3)16(22)9-21(18,20)26-20/h8,12-14,16,22,24H,6-7,9-11H2,1-5H3/t13-,14+,16+,18+,19+,20-,21-/m1/s1
InChIKeyWETJRZWHNALISL-DKHSWGKQSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (30398284)
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene X (CHEBI:215721) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1R,3S,4R,5S,8R,11R,14R)-3,8-dihydroxy-8-(methoxymethyl)-4,11-dimethyl-14-propan-2-yl-15-oxatetracyclo[9.4.0.01,14.05,9]pentadec-9-en-12-one