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CHEBI:224171 - Asperunguisin B

ChEBI IDCHEBI:224171
ChEBI NameAsperunguisin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O4
Net Charge0
Average Mass492.700
Monoisotopic Mass492.32396
SMILESC=C1CC[C@@H]2[C@@]3(C)CC=C4[C@H](C(C)C)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@@]2(C)[C@@H]2O[C@@H](c3ccc(O)cc3)O[C@@H]12
InChIInChI=1S/C32H44O4/c1-18(2)22-13-15-30(4)23(22)14-16-31(5)24-12-7-19(3)27-28(32(24,6)26(34)17-25(30)31)36-29(35-27)20-8-10-21(33)11-9-20/h8-11,14,18,22,24-29,33-34H,3,7,12-13,15-17H2,1-2,4-6H3/t22-,24+,25-,26-,27-,28+,29-,30+,31+,32-/m0/s1
InChIKeyDYXOLDHDTSPWOZ-FFTJNDHYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (31117521)
ChEBI Ontology
Outgoing Relation(s)
Asperunguisin B (CHEBI:224171) is a phenols (CHEBI:33853)
IUPAC Name 
(1R,2S,6S,9S,10R,12S,13S,14S,16S,18S)-16-(4-hydroxyphenyl)-2,9,13-trimethyl-19-methylidene-6-propan-2-yl-15,17-dioxapentacyclo[11.8.0.02,10.05,9.014,18]henicos-4-en-12-ol
Manual XrefsDatabases
128440756ChemSpider