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CHEBI:218598 - Phomoxanthone D

ChEBI IDCHEBI:218598
ChEBI NamePhomoxanthone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32O14
Net Charge0
Average Mass616.572
Monoisotopic Mass616.17921
SMILESC[C@H]1C[C@]2(O)OC[C@]3(Oc4ccc(-c5ccc6c(c5O)C(=O)[C@@]5(O)[C@@H](O)C[C@H](C)[C@H](O)[C@]5(CO)O6)c(O)c4C(=O)[C@]32O)[C@H]1O
InChIInChI=1S/C30H32O14/c1-11-7-17(32)29(40)24(37)18-15(43-26(29,9-31)22(11)35)5-3-13(20(18)33)14-4-6-16-19(21(14)34)25(38)30(41)27(44-16)10-42-28(30,39)8-12(2)23(27)36/h3-6,11-12,17,22-23,31-36,39-41H,7-10H2,1-2H3/t11-,12-,17-,22-,23-,26-,27-,28-,29-,30-/m0/s1
InChIKeyPABONIYDYSFJII-KCQBLUCXSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies xy21 (ncbitaxon:2019965) - PubMed (28581824)
ChEBI Ontology
Outgoing Relation(s)
Phomoxanthone D (CHEBI:218598) is a xanthones (CHEBI:51149)
IUPAC Name 
(1S,10R,11S,13S,14S)-6-[(5S,6S,8S,8aR,10aS)-1,5,8,8a-tetrahydroxy-10a-(hydroxymethyl)-6-methyl-9-oxo-5,6,7,8-tetrahydroxanthen-2-yl]-7,10,11,14-tetrahydroxy-13-methyl-2,16-dioxatetracyclo[9.3.2.01,10.03,8]hexadeca-3(8),4,6-trien-9-one
Manual XrefsDatabases
71048889ChemSpider