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CHEBI:225725 - Resorcinoside A

ChEBI IDCHEBI:225725
ChEBI NameResorcinoside A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H48O8
Net Charge0
Average Mass536.706
Monoisotopic Mass536.33492
SMILESCC[C@H](C)[C@@H](CCCCCCC/C=C/C=C/CCc1cc(O)cc(O)c1)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C30H48O8/c1-3-21(2)25(37-30-29(36)28(35)27(34)26(20-31)38-30)16-14-12-10-8-6-4-5-7-9-11-13-15-22-17-23(32)19-24(33)18-22/h5,7,9,11,17-19,21,25-36H,3-4,6,8,10,12-16,20H2,1-2H3/b7-5+,11-9+/t21-,25+,26+,27+,28-,29+,30-/m0/s1
InChIKeyZWERVKPIXLXNTP-YXDDMCJOSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (31668073)
ChEBI Ontology
Outgoing Relation(s)
Resorcinoside A (CHEBI:225725) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[(3S,4R,12E,14E)-17-(3,5-dihydroxyphenyl)-3-methylheptadeca-12,14-dien-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
81361100ChemSpider