EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216099 - Phellinstatin

ChEBI IDCHEBI:216099
ChEBI NamePhellinstatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H26O15
Net Charge0
Average Mass734.622
Monoisotopic Mass734.12717
SMILESO=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4cc(O)c(O)cc4-c4c(O)cc(/C=C/c5ccc(O)c(O)c5)oc4=O)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1
InChIInChI=1S/C39H26O15/c40-20-12-31(53-33(48)13-20)35-36-32(54-37(35)19-4-8-25(42)27(44)11-19)15-22(52-39(36)50)6-3-18-10-28(45)29(46)16-23(18)34-30(47)14-21(51-38(34)49)5-1-17-2-7-24(41)26(43)9-17/h1-16,35,37,40-47H/b5-1+,6-3+/t35-,37+/m0/s1
InChIKeyKAEWYNFUJFCGQA-UPSVAIHWSA-N
Species of MetaboliteComponentSourceComments
Tropicoporus linteus (ncbitaxon:1659895) - PubMed (21316961)
ChEBI Ontology
Outgoing Relation(s)
Phellinstatin (CHEBI:216099) is a catechols (CHEBI:33566)
IUPAC Name 
(2S,3S)-2-(3,4-dihydroxyphenyl)-6-[(E)-2-[2-[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl]-4,5-dihydroxyphenyl]ethenyl]-3-(4-hydroxy-6-oxopyran-2-yl)-2,3-dihydrouro[3,2-c]pyran-4-one
Manual XrefsDatabases
26385089ChemSpider