CHEBI:224352 - Asiaticusinol B

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ChEBI Name Asiaticusinol B
ChEBI ID CHEBI:224352
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H36O6
Net Charge 0
Average Mass 456.579
Monoisotopic Mass 456.25119
InChI InChI=1S/C27H36O6/c1-19(8-5-11-21(3)25(29)30)9-6-16-27(4,33)17-7-10-20(2)12-13-22-18-23(26(31)32)14-15-24(22)28/h7,9,11-12,14-15,17-18,28,33H,5-6,8,10,13,16H2,1-4H3,(H,29,30)(H,31,32)/t27-/m0/s1
InChIKey LXJZBWDMDHSMJN-MHZLTWQESA-N
SMILES O=C(O)C1=CC(=C(O)C=C1)CC=C(CC=C[C@@](O)(CCC=C(CCC=C(C(=O)O)C)C)C)C
Metabolite of Species Details
Boletinus asiaticus (NCBI:txid2725002) See: PubMed
ChEBI Ontology
Outgoing Asiaticusinol B (CHEBI:224352) is a diterpenoid (CHEBI:23849)
IUPAC Name
3-(15-carboxy-7-hydroxy-3,7,11-trimethylhexadeca-2,5,10,14-tetraenyl)-4-hydroxybenzoic acid