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CHEBI:168425 - Pyranodelphinin B

ChEBI IDCHEBI:168425
ChEBI NamePyranodelphinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23O12
Net Charge+1
Average Mass503.436
Monoisotopic Mass503.11840
SMILESCc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc3cc(=[OH+])cc(o1)c32
InChIInChI=1S/C24H22O12/c1-8-2-11-17-14(33-8)5-10(26)6-15(17)34-22(9-3-12(27)18(29)13(28)4-9)23(11)36-24-21(32)20(31)19(30)16(7-25)35-24/h2-6,16,19-21,24-25,27-32H,7H2,1H3/p+1/t16-,19-,20+,21-,24+/m1/s1
InChIKeyHVEQASDYFXOXEB-ZVQINVJOSA-O
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pyranodelphinin B (CHEBI:168425) is a flavonoids (CHEBI:72544)
Pyranodelphinin B (CHEBI:168425) is a glycoside (CHEBI:24400)
IUPAC Name 
[7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-ylidene]oxidanium