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CHEBI:226652 - 1beta-hydroxybrabetaicicene Q

ChEBI IDCHEBI:226652
ChEBI Name1beta-hydroxybrabetaicicene Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILESCC(C)C1=C2C[C@H](O)[C@H](C)C3=C(C(=O)CC3)[C@H](O)[C@@]2(C)CC1
InChIInChI=1S/C19H28O3/c1-10(2)12-7-8-19(4)14(12)9-16(21)11(3)13-5-6-15(20)17(13)18(19)22/h10-11,16,18,21-22H,5-9H2,1-4H3/t11-,16+,18+,19+/m1/s1
InChIKeyFDSGHSRYDXQBCB-NDLHMUQXSA-N
Species of MetaboliteComponentSourceComments
Alternaria brassicicola (ncbitaxon:29001) - PubMed (32520548)
ChEBI Ontology
Outgoing Relation(s)
1beta-hydroxybrabetaicicene Q (CHEBI:226652) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,2R,8R,9S)-2,9-dihydroxy-1,8-dimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradeca-3(7),11-dien-4-one