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CHEBI:226657 - Alterbrabetaicicene B

ChEBI IDCHEBI:226657
ChEBI NameAlterbrabetaicicene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILESCC(C)C1=C2C[C@@H]3O[C@@H]([C@H]4C(=O)CC[C@H]4[C@H]3C)[C@@]2(C)[C@@H](O)C1
InChIInChI=1S/C19H28O3/c1-9(2)12-7-16(21)19(4)13(12)8-15-10(3)11-5-6-14(20)17(11)18(19)22-15/h9-11,15-18,21H,5-8H2,1-4H3/t10-,11+,15+,16+,17-,18+,19-/m1/s1
InChIKeyDJXNPFSWMHOJEK-RGFDLTBHSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
Alterbrabetaicicene B (CHEBI:226657) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,2S,6S,7R,8S,13S,14R)-13-hydroxy-7,14-dimethyl-11-propan-2-yl-15-oxatetracyclo[6.6.1.02,6.010,14]pentadec-10-en-3-one