CHEBI:217875 - Pestalustaine A

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 Pestalustaine A
ChEBI ID CHEBI:217875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H24O3
Net Charge 0
Average Mass 252.354
Monoisotopic Mass 252.17254
InChI InChI=1S/C15H24O3/c1-13-4-3-12(18)15(9-17)10(5-13)6-14(2,8-16)11(15)7-13/h3-4,10-12,16-18H,5-9H2,1-2H3/t10-,11+,12-,13+,14-,15-/m1/s1
InChIKey DIUIQBFYLNYRSD-ARSDKDGVSA-N
SMILES O[C@@H]1C=C[C@]2(C)C[C@@H]3[C@]1([C@H](C2)C[C@@]3(CO)C)CO
Metabolite of Species Details
Pestalotiopsis adusta (NCBI:txid173179) See: DOI
ChEBI Ontology
Outgoing Pestalustaine A (CHEBI:217875) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2R,3R,6S,8S,9S)-2,9-bis(hydroxymethyl)-6,9-dimethyltricyclo[4.4.1.02,8]undec-4-en-3-ol
Manual Xref Database
78441774 ChemSpider
View more database links