CHEBI:202666 - Boletinin J

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 Boletinin J
ChEBI ID CHEBI:202666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H36O6
Net Charge 0
Average Mass 432.557
Monoisotopic Mass 432.25119
InChI InChI=1S/C25H36O6/c1-18(9-6-10-19(2)13-8-14-21(4)24(28)29)11-7-12-20(3)15-16-31-25(30)22(5)17-23(26)27/h10-11,14-15,17H,6-9,12-13,16H2,1-5H3,(H,26,27)(H,28,29)/b18-11+,19-10+,20-15+,21-14+,22-17+
InChIKey RGDGFPUBWJTQHJ-HGJUBKMSSA-N
SMILES O=C(OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C(=O)O)\C)\C)\C)\C)/C(=C/C(=O)O)/C
Metabolite of Species Details
Boletinus cavipes (NCBI:txid85973) See: PubMed
ChEBI Ontology
Outgoing Boletinin J (CHEBI:202666) is a diterpenoid (CHEBI:23849)
IUPAC Name
(2E,6E,10E,14E)-16-[(E)-3-carboxy-2-methylprop-2-enoyl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraenoic acid
Manual Xref Database
9537424 ChemSpider
View more database links