CHEBI:226652 - 1beta-hydroxybrabetaicicene Q

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1beta-hydroxybrabetaicicene Q
ChEBI ID CHEBI:226652
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O3
Net Charge 0
Average Mass 304.430
Monoisotopic Mass 304.20384
InChI InChI=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
InChIKey FDSGHSRYDXQBCB-NDLHMUQXSA-N
SMILES O=C1C2=C([C@H]([C@@H](O)CC=3[C@@]([C@H]2O)(CCC3C(C)C)C)C)CC1
Metabolite of Species Details
Alternaria brassicicola (NCBI:txid29001) See: PubMed
ChEBI Ontology
Outgoing 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