CHEBI:222104 - 15alpha-Hydroxy-14-aldehyde probotryan-4

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 15alpha-Hydroxy-14-aldehyde probotryan-4
ChEBI ID CHEBI:222104
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22O2
Net Charge 0
Average Mass 234.339
Monoisotopic Mass 234.16198
InChI InChI=1S/C15H22O2/c1-9-4-5-11-13-10(9)6-12(17)15(13,8-16)7-14(11,2)3/h5,8-10,12-13,17H,4,6-7H2,1-3H3/t9-,10+,12?,13+,15+/m1/s1
InChIKey PDQCQIKOOSJLFX-XMLUMMTISA-N
SMILES O=C[C@]12[C@@H]3C(=CC[C@H]([C@@H]3CC1O)C)C(C2)(C)C
Metabolite of Species Details
Geniculosporium (NCBI:txid1479502) See: PubMed
ChEBI Ontology
Outgoing 15alpha-Hydroxy-14-aldehyde probotryan-4 (CHEBI:222104) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(4R,7S,8R,11S)-5-hydroxy-2,2,8-trimethyltricyclo[5.3.1.04,11]undec-1(10)-ene-4-carbaldehyde
Manual Xref Database
10480592 ChemSpider
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