EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218594 - Phomoxanthone C

ChEBI IDCHEBI:218594
ChEBI NamePhomoxanthone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34O14
Net Charge0
Average Mass618.588
Monoisotopic Mass618.19486
SMILESC[C@H]1C[C@H](O)[C@]2(O)C(=O)c3c(ccc(-c4ccc5c(c4O)C(=O)[C@@]4(O)[C@@H](O)C[C@H](C)[C@H](O)[C@]4(CO)O5)c3O)O[C@@]2(CO)[C@H]1O
InChIInChI=1S/C30H34O14/c1-11-7-17(33)29(41)25(39)19-15(43-27(29,9-31)23(11)37)5-3-13(21(19)35)14-4-6-16-20(22(14)36)26(40)30(42)18(34)8-12(2)24(38)28(30,10-32)44-16/h3-6,11-12,17-18,23-24,31-38,41-42H,7-10H2,1-2H3/t11-,12-,17-,18-,23-,24-,27-,28-,29-,30-/m0/s1
InChIKeyRXVAVEKKCSIMEI-GNEXZLCTSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies xy21 (ncbitaxon:2019965) - PubMed (28581824)
ChEBI Ontology
Outgoing Relation(s)
Phomoxanthone C (CHEBI:218594) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S,3S,4S,4aS,9aR)-7-[(5S,6S,8S,8aR,10aS)-1,5,8,8a-tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-1,4,8,9a-tetrahydroxy-4a-(hydroxymethyl)-3-methyl-1,2,3,4-tetrahydroxanthen-9-one
Manual XrefsDatabases
71048888ChemSpider